REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2gb3_1_F DATA FIRST_RESID 3 DATA SEQUENCE VFSDRVLLTE ESPIRKLVPF AEXAKKRGVR IHHLNIGQPD LKTPEVFFER DATA SEQUENCE IYENKPEVVY YSHSAGIWEL REAFASYYKR RQRVDVKPEN VLVTNGGSEA DATA SEQUENCE ILFSFAVIAN PGDEILVLEP FYANYNAFAK IAGVKLIPVT RRXEEGFAIP DATA SEQUENCE QNLESFINER TKGIVLSNPC NPTGVVYGKD EXRYLVEIAE RHGLFLIVDE DATA SEQUENCE VYSEIVFRGE FASALSIESD KVVVIDSVSX KFSACGARVG CLITRNEELI DATA SEQUENCE SHAXKLAQGR LAPPLLEQIG SVGLLNLDDS FFDFVRETYR ERVETVLKKL DATA SEQUENCE EEHGLKRFTK PSGAFYITAE LPVEDAEEFA RWXLTDFNXD GETTXVAPLR DATA SEQUENCE GFYLTPGLGK KEIRIACVLE KDLLSRAIDV LXEGLKXFC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 175.917 176.094 -0.295 0.000 1.182 3 V CA 0.000 62.159 62.300 -0.235 0.000 1.235 3 V CB 0.000 31.781 31.823 -0.069 0.000 1.184 4 F N 3.231 123.187 119.950 0.010 0.000 2.375 4 F HA 0.644 5.171 4.527 0.001 0.000 0.313 4 F C 1.245 177.053 175.800 0.012 0.000 1.176 4 F CA 0.541 58.548 58.000 0.011 0.000 1.142 4 F CB 1.035 40.041 39.000 0.010 0.000 1.275 4 F HN 0.702 nan 8.300 nan 0.000 0.544 5 S N -0.039 115.799 115.700 0.230 0.000 2.576 5 S HA 0.064 4.535 4.470 0.001 0.000 0.276 5 S C 0.492 175.157 174.600 0.108 0.000 1.339 5 S CA -0.789 57.487 58.200 0.127 0.000 1.039 5 S CB 0.816 64.079 63.200 0.104 0.000 0.902 5 S HN 0.550 nan 8.310 nan 0.000 0.516 6 D N 1.591 122.036 120.400 0.074 0.000 2.123 6 D HA -0.159 4.482 4.640 0.001 0.000 0.196 6 D C 1.969 178.299 176.300 0.050 0.000 0.992 6 D CA 1.268 55.303 54.000 0.058 0.000 0.833 6 D CB -0.386 40.441 40.800 0.045 0.000 0.954 6 D HN 0.727 nan 8.370 nan 0.000 0.455 7 R N 0.524 121.054 120.500 0.051 0.000 2.159 7 R HA -0.187 4.153 4.340 0.001 0.000 0.252 7 R C 1.988 178.306 176.300 0.031 0.000 1.144 7 R CA 1.524 57.651 56.100 0.044 0.000 0.961 7 R CB -0.444 29.888 30.300 0.053 0.000 0.877 7 R HN 0.154 nan 8.270 nan 0.000 0.444 8 V N 0.182 120.116 119.914 0.033 0.000 3.307 8 V HA 0.036 4.156 4.120 0.001 0.000 0.253 8 V C 1.904 177.990 176.094 -0.013 0.000 1.149 8 V CA 0.502 62.802 62.300 0.001 0.000 1.112 8 V CB 0.227 32.044 31.823 -0.011 0.000 0.777 8 V HN 0.295 nan 8.190 nan 0.000 0.464 9 L N -0.633 120.603 121.223 0.021 0.000 2.109 9 L HA -0.045 4.296 4.340 0.001 0.000 0.207 9 L C 2.212 179.090 176.870 0.012 0.000 1.086 9 L CA 1.399 56.251 54.840 0.021 0.000 0.760 9 L CB -0.303 41.792 42.059 0.060 0.000 0.910 9 L HN 0.289 nan 8.230 nan 0.000 0.437 10 L N -0.962 120.271 121.223 0.017 0.000 2.313 10 L HA -0.025 4.316 4.340 0.001 0.000 0.214 10 L C 0.660 177.532 176.870 0.003 0.000 1.119 10 L CA 0.265 55.114 54.840 0.015 0.000 0.809 10 L CB -0.660 41.412 42.059 0.022 0.000 0.933 10 L HN 0.127 nan 8.230 nan 0.000 0.449 11 T N 1.634 116.183 114.554 -0.008 0.000 2.743 11 T HA 0.296 4.646 4.350 0.001 0.000 0.290 11 T C 0.441 175.122 174.700 -0.032 0.000 0.908 11 T CA -0.056 62.029 62.100 -0.024 0.000 1.092 11 T CB 0.525 69.372 68.868 -0.036 0.000 0.882 11 T HN 0.384 nan 8.240 nan 0.000 0.531 12 E N 2.755 122.938 120.200 -0.028 0.000 2.349 12 E HA 0.286 4.637 4.350 0.001 0.000 0.262 12 E C 0.036 176.611 176.600 -0.042 0.000 1.088 12 E CA -0.761 55.623 56.400 -0.026 0.000 0.899 12 E CB 0.471 30.163 29.700 -0.013 0.000 1.044 12 E HN 0.804 nan 8.360 nan 0.000 0.420 13 E N 0.347 120.525 120.200 -0.036 0.000 2.366 13 E HA 0.285 4.636 4.350 0.001 0.000 0.266 13 E C -0.030 176.540 176.600 -0.051 0.000 1.051 13 E CA -0.101 56.271 56.400 -0.047 0.000 0.884 13 E CB 0.862 30.541 29.700 -0.035 0.000 1.006 13 E HN 0.557 nan 8.360 nan 0.000 0.417 14 S N 3.824 119.477 115.700 -0.078 0.000 2.593 14 S HA -0.009 4.462 4.470 0.001 0.000 0.300 14 S C -1.725 172.847 174.600 -0.047 0.000 1.267 14 S CA -1.020 57.121 58.200 -0.099 0.000 1.065 14 S CB 0.510 63.628 63.200 -0.135 0.000 0.807 14 S HN 0.412 nan 8.310 nan 0.000 0.499 15 P HA -0.096 nan 4.420 nan 0.000 0.218 15 P C 1.108 178.428 177.300 0.032 0.000 1.146 15 P CA 1.178 64.284 63.100 0.010 0.000 0.813 15 P CB 0.042 31.753 31.700 0.018 0.000 0.778 16 I N -0.930 119.648 120.570 0.015 0.000 2.233 16 I HA -0.187 3.984 4.170 0.001 0.000 0.243 16 I C 2.468 178.616 176.117 0.053 0.000 1.093 16 I CA 1.301 62.629 61.300 0.048 0.000 1.380 16 I CB -0.474 37.553 38.000 0.044 0.000 1.067 16 I HN -0.150 nan 8.210 nan 0.000 0.413 17 R N 1.240 121.753 120.500 0.021 0.000 2.152 17 R HA -0.147 4.194 4.340 0.001 0.000 0.232 17 R C 2.500 178.832 176.300 0.052 0.000 1.117 17 R CA 1.574 57.690 56.100 0.026 0.000 0.981 17 R CB -0.529 29.767 30.300 -0.008 0.000 0.870 17 R HN 0.361 nan 8.270 nan 0.000 0.451 18 K N 1.150 121.591 120.400 0.069 0.000 2.442 18 K HA -0.007 4.313 4.320 0.001 0.000 0.198 18 K C 1.792 178.539 176.600 0.245 0.000 1.042 18 K CA 0.970 57.331 56.287 0.123 0.000 0.958 18 K CB -0.548 32.022 32.500 0.117 0.000 0.766 18 K HN 0.201 nan 8.250 nan 0.000 0.474 19 L N -0.185 121.162 121.223 0.207 0.000 2.529 19 L HA 0.019 4.360 4.340 0.001 0.000 0.223 19 L C 2.196 179.216 176.870 0.250 0.000 1.113 19 L CA 0.048 55.057 54.840 0.282 0.000 0.861 19 L CB 0.105 42.249 42.059 0.141 0.000 1.012 19 L HN 0.101 nan 8.230 nan 0.000 0.461 20 V N 0.980 120.981 119.914 0.145 0.000 2.287 20 V HA -0.174 3.947 4.120 0.001 0.000 0.248 20 V C -0.091 176.027 176.094 0.040 0.000 1.053 20 V CA 2.048 64.401 62.300 0.088 0.000 1.027 20 V CB -1.475 30.376 31.823 0.048 0.000 0.646 20 V HN 0.362 nan 8.190 nan 0.000 0.447 21 P HA -0.114 nan 4.420 nan 0.000 0.217 21 P C 1.531 178.701 177.300 -0.216 0.000 1.150 21 P CA 1.505 64.491 63.100 -0.190 0.000 0.832 21 P CB -0.134 31.347 31.700 -0.366 0.000 0.787 22 F N -0.209 119.743 119.950 0.003 0.000 2.259 22 F HA -0.020 4.508 4.527 0.001 0.000 0.298 22 F C 2.450 178.241 175.800 -0.014 0.000 1.088 22 F CA 1.064 59.060 58.000 -0.006 0.000 1.358 22 F CB -1.362 37.636 39.000 -0.003 0.000 1.040 22 F HN -0.110 nan 8.300 nan 0.000 0.505 23 A N -0.243 122.677 122.820 0.165 0.000 1.873 23 A HA -0.095 4.225 4.320 0.001 0.000 0.215 23 A C 1.444 179.061 177.584 0.055 0.000 1.186 23 A CA 1.140 53.233 52.037 0.094 0.000 0.616 23 A CB -0.818 18.250 19.000 0.113 0.000 0.823 23 A HN 0.221 nan 8.150 nan 0.000 0.442 27 K N 1.296 121.685 120.400 -0.019 0.000 2.097 27 K HA -0.027 4.294 4.320 0.001 0.000 0.206 27 K C 1.803 178.389 176.600 -0.024 0.000 1.049 27 K CA 1.922 58.197 56.287 -0.021 0.000 0.933 27 K CB -0.891 31.608 32.500 -0.001 0.000 0.717 27 K HN 0.601 nan 8.250 nan 0.000 0.442 28 K N -0.423 119.964 120.400 -0.021 0.000 2.147 28 K HA -0.116 4.204 4.320 0.001 0.000 0.205 28 K C 2.761 179.345 176.600 -0.027 0.000 1.049 28 K CA 1.405 57.679 56.287 -0.022 0.000 0.936 28 K CB -0.173 32.315 32.500 -0.021 0.000 0.722 28 K HN 0.435 nan 8.250 nan 0.000 0.446 29 R N 1.158 121.639 120.500 -0.032 0.000 2.323 29 R HA 0.047 4.388 4.340 0.001 0.000 0.198 29 R C 1.122 177.395 176.300 -0.046 0.000 0.988 29 R CA 0.962 57.039 56.100 -0.039 0.000 1.041 29 R CB -1.034 29.239 30.300 -0.045 0.000 0.926 29 R HN 0.435 nan 8.270 nan 0.000 0.476 30 G N -0.546 108.227 108.800 -0.045 0.000 2.370 30 G HA2 -0.083 3.878 3.960 0.001 0.000 0.268 30 G HA3 -0.083 3.878 3.960 0.001 0.000 0.268 30 G C -0.321 174.540 174.900 -0.064 0.000 1.122 30 G CA 0.026 45.097 45.100 -0.049 0.000 0.963 30 G HN 0.806 nan 8.290 nan 0.000 0.500 31 V N -0.191 119.680 119.914 -0.072 0.000 2.487 31 V HA 0.884 5.004 4.120 0.001 0.000 0.298 31 V C 0.752 176.780 176.094 -0.111 0.000 1.028 31 V CA -0.291 61.950 62.300 -0.097 0.000 0.860 31 V CB 1.510 33.270 31.823 -0.106 0.000 0.991 31 V HN 1.051 nan 8.190 nan 0.000 0.427 32 R N 5.018 125.433 120.500 -0.142 0.000 2.242 32 R HA 0.669 5.010 4.340 0.001 0.000 0.334 32 R C -0.490 175.613 176.300 -0.328 0.000 1.071 32 R CA -0.065 55.916 56.100 -0.198 0.000 0.922 32 R CB -0.089 30.091 30.300 -0.200 0.000 1.023 32 R HN 0.761 nan 8.270 nan 0.000 0.458 33 I N 3.435 123.826 120.570 -0.298 0.000 2.353 33 I HA 0.267 4.438 4.170 0.001 0.000 0.293 33 I C -0.037 175.787 176.117 -0.488 0.000 0.992 33 I CA -1.023 60.041 61.300 -0.393 0.000 1.268 33 I CB 1.633 39.394 38.000 -0.399 0.000 1.387 33 I HN 0.625 nan 8.210 nan 0.000 0.478 34 H N 5.479 124.431 119.070 -0.197 0.000 2.761 34 H HA 0.227 4.784 4.556 0.001 0.000 0.284 34 H C -0.670 174.559 175.328 -0.164 0.000 1.105 34 H CA -0.548 55.434 56.048 -0.109 0.000 1.352 34 H CB 0.112 29.844 29.762 -0.050 0.000 1.423 34 H HN 0.481 nan 8.280 nan 0.000 0.464 35 H N 3.834 122.962 119.070 0.098 0.000 3.004 35 H HA 0.092 4.649 4.556 0.001 0.000 0.267 35 H C 0.878 176.256 175.328 0.083 0.000 1.165 35 H CA -0.081 56.013 56.048 0.077 0.000 1.450 35 H CB 0.455 30.251 29.762 0.056 0.000 1.488 35 H HN 0.512 nan 8.280 nan 0.000 0.478 36 L N 2.531 123.846 121.223 0.153 0.000 3.014 36 L HA 0.103 4.443 4.340 0.001 0.000 0.263 36 L C 1.119 178.085 176.870 0.160 0.000 1.207 36 L CA -0.105 54.814 54.840 0.132 0.000 1.017 36 L CB 0.064 42.175 42.059 0.086 0.000 1.360 36 L HN 0.641 nan 8.230 nan 0.000 0.560 37 N N 0.609 119.420 118.700 0.184 0.000 2.356 37 N HA 0.108 4.848 4.740 0.001 0.000 0.178 37 N C 0.430 176.077 175.510 0.227 0.000 1.075 37 N CA 0.193 53.359 53.050 0.192 0.000 0.889 37 N CB 0.862 39.451 38.487 0.169 0.000 0.999 37 N HN 0.255 nan 8.380 nan 0.000 0.464 38 I N -0.042 120.667 120.570 0.231 0.000 2.530 38 I HA 0.357 4.528 4.170 0.001 0.000 0.297 38 I C 0.673 176.970 176.117 0.300 0.000 1.011 38 I CA -1.281 60.162 61.300 0.239 0.000 1.107 38 I CB 2.238 40.335 38.000 0.161 0.000 1.285 38 I HN -0.042 nan 8.210 nan 0.000 0.436 39 G N 3.355 112.396 108.800 0.402 0.000 3.474 39 G HA2 0.047 4.008 3.960 0.001 0.000 0.269 39 G HA3 0.047 4.008 3.960 0.001 0.000 0.269 39 G C 0.206 175.324 174.900 0.364 0.000 1.339 39 G CA -0.067 45.362 45.100 0.549 0.000 1.258 39 G HN 0.525 nan 8.290 nan 0.000 0.560 40 Q N 1.373 121.291 119.800 0.196 0.000 2.377 40 Q HA 0.376 4.717 4.340 0.001 0.000 0.249 40 Q C -2.412 173.605 176.000 0.029 0.000 1.005 40 Q CA -2.164 53.707 55.803 0.113 0.000 0.912 40 Q CB 1.177 29.959 28.738 0.073 0.000 1.223 40 Q HN 0.048 nan 8.270 nan 0.000 0.459 41 P HA 0.021 nan 4.420 nan 0.000 0.269 41 P C -0.457 176.834 177.300 -0.014 0.000 1.209 41 P CA 0.007 63.077 63.100 -0.049 0.000 0.776 41 P CB 0.709 32.438 31.700 0.047 0.000 0.876 42 D N 2.058 122.434 120.400 -0.039 0.000 2.349 42 D HA -0.002 4.639 4.640 0.001 0.000 0.214 42 D C 0.326 176.621 176.300 -0.008 0.000 1.063 42 D CA 0.280 54.267 54.000 -0.022 0.000 0.847 42 D CB -0.348 40.431 40.800 -0.035 0.000 0.933 42 D HN 0.241 nan 8.370 nan 0.000 0.513 43 L N 0.939 122.161 121.223 -0.002 0.000 2.461 43 L HA 0.117 4.458 4.340 0.001 0.000 0.272 43 L C 0.991 177.906 176.870 0.075 0.000 1.197 43 L CA -0.387 54.474 54.840 0.035 0.000 0.836 43 L CB 0.462 42.548 42.059 0.046 0.000 1.105 43 L HN -0.250 nan 8.230 nan 0.000 0.477 44 K N 1.737 122.190 120.400 0.088 0.000 2.448 44 K HA 0.100 4.421 4.320 0.001 0.000 0.278 44 K C -0.097 176.581 176.600 0.130 0.000 1.009 44 K CA 0.006 56.351 56.287 0.096 0.000 0.995 44 K CB 0.332 32.880 32.500 0.079 0.000 0.917 44 K HN 0.518 nan 8.250 nan 0.000 0.481 45 T N 5.638 120.272 114.554 0.134 0.000 2.834 45 T HA 0.128 4.479 4.350 0.001 0.000 0.298 45 T C -2.141 172.640 174.700 0.136 0.000 0.966 45 T CA -1.018 61.137 62.100 0.091 0.000 1.141 45 T CB 0.314 69.179 68.868 -0.005 0.000 0.905 45 T HN 0.257 nan 8.240 nan 0.000 0.535 46 P HA 0.205 nan 4.420 nan 0.000 0.264 46 P C 1.025 178.387 177.300 0.103 0.000 1.183 46 P CA 0.232 63.341 63.100 0.015 0.000 0.763 46 P CB 0.319 31.895 31.700 -0.207 0.000 0.807 47 E N 2.579 122.860 120.200 0.135 0.000 2.209 47 E HA -0.186 4.165 4.350 0.001 0.000 0.196 47 E C 1.833 178.537 176.600 0.174 0.000 0.993 47 E CA 1.692 58.229 56.400 0.229 0.000 0.819 47 E CB -1.247 28.516 29.700 0.106 0.000 0.745 47 E HN 0.346 nan 8.360 nan 0.000 0.477 48 V N -0.555 119.382 119.914 0.038 0.000 2.453 48 V HA -0.209 3.912 4.120 0.001 0.000 0.252 48 V C 2.210 178.283 176.094 -0.036 0.000 1.068 48 V CA 2.442 64.728 62.300 -0.022 0.000 1.070 48 V CB -0.544 31.219 31.823 -0.099 0.000 0.664 48 V HN 0.690 nan 8.190 nan 0.000 0.461 49 F N 0.491 120.302 119.950 -0.231 0.000 2.095 49 F HA -0.173 4.355 4.527 0.001 0.000 0.298 49 F C 1.805 177.394 175.800 -0.352 0.000 1.104 49 F CA 2.318 60.091 58.000 -0.378 0.000 1.232 49 F CB -0.422 38.228 39.000 -0.582 0.000 0.987 49 F HN 0.280 nan 8.300 nan 0.000 0.475 50 F N 0.683 120.660 119.950 0.045 0.000 2.234 50 F HA -0.038 4.489 4.527 0.001 0.000 0.296 50 F C 2.354 178.121 175.800 -0.056 0.000 1.089 50 F CA 1.286 59.264 58.000 -0.036 0.000 1.343 50 F CB -0.982 38.047 39.000 0.049 0.000 1.040 50 F HN -0.032 nan 8.300 nan 0.000 0.498 51 E N 0.182 120.466 120.200 0.140 0.000 2.038 51 E HA -0.196 4.155 4.350 0.001 0.000 0.195 51 E C 2.388 179.020 176.600 0.052 0.000 1.000 51 E CA 0.945 57.401 56.400 0.094 0.000 0.803 51 E CB -0.123 29.610 29.700 0.055 0.000 0.750 51 E HN 0.176 nan 8.360 nan 0.000 0.448 52 R N 0.548 121.018 120.500 -0.049 0.000 2.091 52 R HA -0.139 4.201 4.340 0.001 0.000 0.238 52 R C 2.365 178.600 176.300 -0.109 0.000 1.136 52 R CA 1.064 57.107 56.100 -0.094 0.000 0.959 52 R CB -0.764 29.438 30.300 -0.163 0.000 0.856 52 R HN 0.314 nan 8.270 nan 0.000 0.437 53 I N -0.442 120.025 120.570 -0.171 0.000 2.179 53 I HA -0.323 3.848 4.170 0.001 0.000 0.242 53 I C 2.387 178.485 176.117 -0.031 0.000 1.088 53 I CA 1.381 62.585 61.300 -0.160 0.000 1.357 53 I CB -0.424 37.431 38.000 -0.241 0.000 1.051 53 I HN 0.082 nan 8.210 nan 0.000 0.409 54 Y N 1.794 122.051 120.300 -0.070 0.000 2.200 54 Y HA -0.238 4.312 4.550 0.001 0.000 0.290 54 Y C 2.393 178.271 175.900 -0.038 0.000 1.137 54 Y CA 1.705 59.784 58.100 -0.036 0.000 1.163 54 Y CB -0.151 38.304 38.460 -0.008 0.000 0.988 54 Y HN 0.172 nan 8.280 nan 0.000 0.518 55 E N -0.427 119.771 120.200 -0.003 0.000 2.152 55 E HA -0.128 4.222 4.350 0.001 0.000 0.192 55 E C 0.259 176.790 176.600 -0.116 0.000 0.983 55 E CA 0.907 57.262 56.400 -0.075 0.000 0.818 55 E CB -0.027 29.677 29.700 0.007 0.000 0.758 55 E HN 0.402 nan 8.360 nan 0.000 0.467 56 N N 1.259 119.898 118.700 -0.102 0.000 2.610 56 N HA 0.096 4.837 4.740 0.001 0.000 0.309 56 N C -1.082 174.366 175.510 -0.104 0.000 1.536 56 N CA 0.020 53.017 53.050 -0.090 0.000 0.954 56 N CB 0.627 39.073 38.487 -0.068 0.000 1.310 56 N HN -0.023 nan 8.380 nan 0.000 0.502 57 K N 2.145 122.462 120.400 -0.139 0.000 2.378 57 K HA 0.151 4.472 4.320 0.001 0.000 0.288 57 K C -1.955 174.589 176.600 -0.094 0.000 1.057 57 K CA -0.942 55.268 56.287 -0.129 0.000 0.971 57 K CB 0.431 32.833 32.500 -0.163 0.000 0.975 57 K HN 0.178 nan 8.250 nan 0.000 0.475 58 P HA 0.126 nan 4.420 nan 0.000 0.282 58 P C 0.437 177.719 177.300 -0.031 0.000 1.249 58 P CA -0.163 62.913 63.100 -0.039 0.000 0.806 58 P CB 1.146 32.801 31.700 -0.075 0.000 0.984 59 E N 1.417 121.620 120.200 0.006 0.000 2.150 59 E HA 0.029 4.380 4.350 0.001 0.000 0.193 59 E C 0.740 177.346 176.600 0.011 0.000 0.985 59 E CA 1.006 57.408 56.400 0.003 0.000 0.814 59 E CB -0.281 29.426 29.700 0.012 0.000 0.752 59 E HN 0.363 nan 8.360 nan 0.000 0.466 60 V N 0.813 120.755 119.914 0.047 0.000 2.444 60 V HA 0.342 4.463 4.120 0.001 0.000 0.294 60 V C -0.159 175.929 176.094 -0.009 0.000 1.022 60 V CA -0.870 61.462 62.300 0.053 0.000 0.850 60 V CB 1.949 33.849 31.823 0.129 0.000 0.992 60 V HN 0.226 nan 8.190 nan 0.000 0.426 61 V N 6.769 126.627 119.914 -0.093 0.000 2.229 61 V HA 0.149 4.269 4.120 0.001 0.000 0.245 61 V C 0.008 175.978 176.094 -0.207 0.000 1.243 61 V CA -0.304 61.868 62.300 -0.215 0.000 1.176 61 V CB -1.397 30.331 31.823 -0.158 0.000 1.323 61 V HN 0.801 nan 8.190 nan 0.000 0.499 62 Y N 2.377 122.631 120.300 -0.076 0.000 2.334 62 Y HA 0.684 5.235 4.550 0.001 0.000 0.325 62 Y C -0.233 175.631 175.900 -0.059 0.000 1.308 62 Y CA -2.293 55.751 58.100 -0.092 0.000 1.389 62 Y CB 0.141 38.595 38.460 -0.010 0.000 1.328 62 Y HN 0.358 nan 8.280 nan 0.000 0.532 63 Y N 1.417 121.888 120.300 0.286 0.000 2.402 63 Y HA 0.257 4.808 4.550 0.001 0.000 0.333 63 Y C 1.078 177.175 175.900 0.329 0.000 1.076 63 Y CA -0.052 58.169 58.100 0.200 0.000 1.299 63 Y CB 0.346 38.880 38.460 0.123 0.000 1.197 63 Y HN 0.821 nan 8.280 nan 0.000 0.517 64 S N 1.833 117.785 115.700 0.421 0.000 2.640 64 S HA 0.143 4.614 4.470 0.001 0.000 0.262 64 S C -0.245 174.536 174.600 0.303 0.000 1.232 64 S CA -0.741 57.701 58.200 0.404 0.000 0.988 64 S CB 0.247 63.625 63.200 0.297 0.000 1.034 64 S HN 0.774 nan 8.310 nan 0.000 0.569 65 H N 0.033 119.218 119.070 0.191 0.000 2.897 65 H HA 0.217 4.774 4.556 0.001 0.000 0.347 65 H C 1.298 176.703 175.328 0.128 0.000 1.068 65 H CA 0.973 57.102 56.048 0.136 0.000 1.426 65 H CB 0.386 30.231 29.762 0.138 0.000 1.410 65 H HN 0.565 nan 8.280 nan 0.000 0.597 66 S N 3.312 118.828 115.700 -0.307 0.000 2.387 66 S HA -0.239 4.231 4.470 0.001 0.000 0.230 66 S C 2.078 176.700 174.600 0.037 0.000 1.035 66 S CA 1.319 59.443 58.200 -0.126 0.000 1.014 66 S CB -0.344 62.741 63.200 -0.191 0.000 0.836 66 S HN 0.790 nan 8.310 nan 0.000 0.466 67 A N 0.537 123.449 122.820 0.154 0.000 2.206 67 A HA 0.503 4.823 4.320 0.001 0.000 0.211 67 A C 1.103 178.832 177.584 0.243 0.000 1.158 67 A CA 0.817 53.005 52.037 0.252 0.000 0.761 67 A CB -0.645 18.568 19.000 0.356 0.000 0.801 67 A HN 0.883 nan 8.150 nan 0.000 0.473 68 G N -1.370 107.595 108.800 0.276 0.000 2.497 68 G HA2 0.019 3.980 3.960 0.001 0.000 0.686 68 G HA3 0.019 3.980 3.960 0.001 0.000 0.686 68 G C -0.475 174.585 174.900 0.267 0.000 1.288 68 G CA -0.596 44.641 45.100 0.227 0.000 0.899 68 G HN 0.485 nan 8.290 nan 0.000 0.608 69 I N 1.478 122.178 120.570 0.217 0.000 2.710 69 I HA -0.028 4.142 4.170 0.001 0.000 0.286 69 I C 1.827 178.077 176.117 0.222 0.000 1.181 69 I CA -0.130 61.303 61.300 0.222 0.000 1.430 69 I CB 0.661 38.756 38.000 0.158 0.000 1.367 69 I HN 0.729 nan 8.210 nan 0.000 0.577 70 W N 5.913 127.243 121.300 0.050 0.000 2.321 70 W HA -0.219 4.442 4.660 0.001 0.000 0.306 70 W C 1.718 178.263 176.519 0.043 0.000 1.217 70 W CA 1.709 59.066 57.345 0.021 0.000 1.257 70 W CB 0.122 29.570 29.460 -0.019 0.000 1.145 70 W HN 0.668 nan 8.180 nan 0.000 0.509 71 E N 0.219 120.457 120.200 0.062 0.000 2.118 71 E HA -0.269 4.082 4.350 0.001 0.000 0.195 71 E C 2.034 178.573 176.600 -0.102 0.000 0.992 71 E CA 1.477 57.847 56.400 -0.050 0.000 0.804 71 E CB -0.541 29.169 29.700 0.018 0.000 0.741 71 E HN 0.196 nan 8.360 nan 0.000 0.458 72 L N 1.202 122.402 121.223 -0.038 0.000 2.156 72 L HA -0.107 4.234 4.340 0.001 0.000 0.208 72 L C 2.055 178.956 176.870 0.052 0.000 1.095 72 L CA 1.516 56.345 54.840 -0.018 0.000 0.770 72 L CB -0.102 41.995 42.059 0.062 0.000 0.914 72 L HN -0.093 nan 8.230 nan 0.000 0.439 73 R N -0.473 120.010 120.500 -0.028 0.000 2.092 73 R HA -0.121 4.220 4.340 0.001 0.000 0.231 73 R C 2.099 178.288 176.300 -0.184 0.000 1.119 73 R CA 1.596 57.652 56.100 -0.073 0.000 0.970 73 R CB -0.324 29.837 30.300 -0.232 0.000 0.864 73 R HN 0.505 nan 8.270 nan 0.000 0.440 74 E N 0.576 120.549 120.200 -0.377 0.000 2.106 74 E HA -0.138 4.213 4.350 0.001 0.000 0.192 74 E C 2.074 178.619 176.600 -0.091 0.000 0.984 74 E CA 0.998 57.219 56.400 -0.297 0.000 0.806 74 E CB -0.061 29.428 29.700 -0.352 0.000 0.750 74 E HN 0.349 nan 8.360 nan 0.000 0.458 75 A N 0.843 123.613 122.820 -0.082 0.000 1.877 75 A HA -0.177 4.144 4.320 0.001 0.000 0.216 75 A C 1.880 179.470 177.584 0.009 0.000 1.186 75 A CA 1.195 53.188 52.037 -0.073 0.000 0.620 75 A CB -0.738 18.153 19.000 -0.182 0.000 0.822 75 A HN 0.159 nan 8.150 nan 0.000 0.443 76 F N 0.162 120.153 119.950 0.069 0.000 2.134 76 F HA -0.071 4.456 4.527 0.001 0.000 0.299 76 F C 2.813 178.775 175.800 0.270 0.000 1.097 76 F CA 1.009 59.122 58.000 0.188 0.000 1.264 76 F CB -0.596 38.476 39.000 0.120 0.000 1.001 76 F HN 0.259 nan 8.300 nan 0.000 0.479 77 A N -0.570 122.423 122.820 0.288 0.000 1.883 77 A HA -0.201 4.120 4.320 0.001 0.000 0.217 77 A C 2.402 180.109 177.584 0.203 0.000 1.186 77 A CA 2.252 54.401 52.037 0.188 0.000 0.624 77 A CB -1.196 17.829 19.000 0.041 0.000 0.822 77 A HN 0.320 nan 8.150 nan 0.000 0.444 78 S N -1.753 114.036 115.700 0.148 0.000 2.382 78 S HA -0.166 4.305 4.470 0.001 0.000 0.228 78 S C 1.795 176.476 174.600 0.135 0.000 1.027 78 S CA 1.441 59.708 58.200 0.112 0.000 0.991 78 S CB -0.581 62.662 63.200 0.072 0.000 0.823 78 S HN 0.702 nan 8.310 nan 0.000 0.469 79 Y N 1.188 121.549 120.300 0.102 0.000 2.097 79 Y HA -0.272 4.279 4.550 0.001 0.000 0.282 79 Y C 1.996 177.896 175.900 -0.001 0.000 1.152 79 Y CA 1.564 59.696 58.100 0.054 0.000 1.136 79 Y CB -0.684 37.827 38.460 0.085 0.000 0.975 79 Y HN 0.212 nan 8.280 nan 0.000 0.498 80 Y N 0.749 121.100 120.300 0.086 0.000 2.207 80 Y HA -0.224 4.326 4.550 0.001 0.000 0.287 80 Y C 2.423 178.272 175.900 -0.084 0.000 1.156 80 Y CA 2.051 60.146 58.100 -0.009 0.000 1.182 80 Y CB -0.289 38.252 38.460 0.135 0.000 0.979 80 Y HN 0.127 nan 8.280 nan 0.000 0.521 81 K N -0.419 120.025 120.400 0.074 0.000 2.031 81 K HA -0.139 4.181 4.320 0.001 0.000 0.205 81 K C 2.275 178.842 176.600 -0.056 0.000 1.049 81 K CA 1.240 57.540 56.287 0.022 0.000 0.939 81 K CB -0.162 32.363 32.500 0.043 0.000 0.717 81 K HN 0.144 nan 8.250 nan 0.000 0.438 82 R N 0.548 120.990 120.500 -0.096 0.000 2.073 82 R HA -0.033 4.307 4.340 0.001 0.000 0.229 82 R C 2.054 178.219 176.300 -0.226 0.000 1.120 82 R CA 1.187 57.213 56.100 -0.123 0.000 0.967 82 R CB 0.252 30.504 30.300 -0.080 0.000 0.862 82 R HN -0.001 nan 8.270 nan 0.000 0.436 83 R N -0.610 119.621 120.500 -0.447 0.000 2.123 83 R HA 0.116 4.456 4.340 0.001 0.000 0.209 83 R C 1.794 177.836 176.300 -0.429 0.000 1.078 83 R CA 0.632 56.391 56.100 -0.568 0.000 1.028 83 R CB -0.001 29.647 30.300 -1.087 0.000 0.939 83 R HN 0.259 nan 8.270 nan 0.000 0.463 84 Q N 0.824 120.368 119.800 -0.427 0.000 2.319 84 Q HA 0.155 4.496 4.340 0.001 0.000 0.202 84 Q C -0.199 175.766 176.000 -0.059 0.000 0.896 84 Q CA -0.113 55.579 55.803 -0.184 0.000 0.942 84 Q CB 0.464 29.113 28.738 -0.148 0.000 1.083 84 Q HN 0.057 nan 8.270 nan 0.000 0.510 85 R N -0.362 120.094 120.500 -0.072 0.000 3.416 85 R HA -0.129 4.212 4.340 0.001 0.000 0.263 85 R C -0.843 175.468 176.300 0.018 0.000 1.053 85 R CA 0.265 56.350 56.100 -0.024 0.000 0.705 85 R CB -3.004 27.280 30.300 -0.026 0.000 1.124 85 R HN 0.013 nan 8.270 nan 0.000 0.444 86 V N 0.463 120.414 119.914 0.062 0.000 2.540 86 V HA 0.234 4.354 4.120 0.001 0.000 0.302 86 V C 0.347 176.494 176.094 0.088 0.000 1.035 86 V CA -0.981 61.374 62.300 0.093 0.000 0.873 86 V CB 2.449 34.380 31.823 0.180 0.000 0.992 86 V HN 0.042 nan 8.190 nan 0.000 0.428 87 D N 3.938 124.371 120.400 0.055 0.000 2.393 87 D HA 0.364 5.005 4.640 0.001 0.000 0.232 87 D C -0.647 175.677 176.300 0.040 0.000 1.192 87 D CA 0.285 54.313 54.000 0.046 0.000 0.882 87 D CB 1.060 41.880 40.800 0.032 0.000 1.038 87 D HN 0.252 nan 8.370 nan 0.000 0.499 88 V N 4.206 124.149 119.914 0.048 0.000 2.680 88 V HA 0.407 4.528 4.120 0.001 0.000 0.309 88 V C 0.359 176.468 176.094 0.025 0.000 1.052 88 V CA -0.940 61.373 62.300 0.021 0.000 0.908 88 V CB 2.188 34.011 31.823 0.001 0.000 1.001 88 V HN 0.299 nan 8.190 nan 0.000 0.431 89 K N 3.947 124.355 120.400 0.013 0.000 2.118 89 K HA 0.441 4.762 4.320 0.001 0.000 0.254 89 K C -1.958 174.631 176.600 -0.019 0.000 0.961 89 K CA -1.740 54.556 56.287 0.017 0.000 0.876 89 K CB 1.666 34.192 32.500 0.044 0.000 1.077 89 K HN 0.262 nan 8.250 nan 0.000 0.440 90 P HA -0.166 nan 4.420 nan 0.000 0.218 90 P C 0.231 177.485 177.300 -0.077 0.000 1.148 90 P CA 1.277 64.238 63.100 -0.232 0.000 0.822 90 P CB 0.274 31.528 31.700 -0.742 0.000 0.784 91 E N -0.661 119.581 120.200 0.070 0.000 2.265 91 E HA -0.145 4.205 4.350 0.001 0.000 0.196 91 E C 1.302 177.939 176.600 0.062 0.000 0.996 91 E CA 1.016 57.495 56.400 0.131 0.000 0.832 91 E CB -1.050 28.737 29.700 0.146 0.000 0.756 91 E HN 0.482 nan 8.360 nan 0.000 0.491 92 N N -0.437 118.275 118.700 0.019 0.000 2.467 92 N HA 0.026 4.767 4.740 0.001 0.000 0.184 92 N C -0.609 174.875 175.510 -0.043 0.000 1.106 92 N CA -0.120 52.924 53.050 -0.010 0.000 0.892 92 N CB 0.715 39.185 38.487 -0.029 0.000 0.969 92 N HN -0.087 nan 8.380 nan 0.000 0.454 93 V N 1.787 121.673 119.914 -0.046 0.000 2.427 93 V HA 0.341 4.462 4.120 0.001 0.000 0.286 93 V C -0.558 175.509 176.094 -0.045 0.000 1.034 93 V CA -0.777 61.470 62.300 -0.088 0.000 0.893 93 V CB 1.858 33.630 31.823 -0.086 0.000 0.982 93 V HN 0.036 nan 8.190 nan 0.000 0.452 94 L N 6.058 127.234 121.223 -0.078 0.000 2.372 94 L HA 0.583 4.924 4.340 0.001 0.000 0.273 94 L C -0.362 176.460 176.870 -0.080 0.000 0.989 94 L CA -0.015 54.815 54.840 -0.017 0.000 0.841 94 L CB 1.699 43.769 42.059 0.018 0.000 1.225 94 L HN 0.458 nan 8.230 nan 0.000 0.414 95 V N 3.949 123.849 119.914 -0.023 0.000 2.614 95 V HA 0.542 4.663 4.120 0.001 0.000 0.291 95 V C 0.679 176.747 176.094 -0.043 0.000 1.049 95 V CA 0.258 62.535 62.300 -0.038 0.000 1.038 95 V CB 1.020 32.897 31.823 0.090 0.000 0.980 95 V HN 0.930 nan 8.190 nan 0.000 0.481 96 T N 0.862 115.350 114.554 -0.110 0.000 2.864 96 T HA 0.377 4.728 4.350 0.001 0.000 0.289 96 T C -0.212 174.410 174.700 -0.130 0.000 1.082 96 T CA -0.977 61.015 62.100 -0.180 0.000 1.009 96 T CB 1.349 70.003 68.868 -0.358 0.000 1.234 96 T HN 0.468 nan 8.240 nan 0.000 0.526 97 N N 1.558 120.161 118.700 -0.163 0.000 2.819 97 N HA 0.385 5.126 4.740 0.001 0.000 0.284 97 N C 0.862 176.307 175.510 -0.109 0.000 1.196 97 N CA 0.649 53.644 53.050 -0.093 0.000 1.114 97 N CB -0.348 38.098 38.487 -0.069 0.000 1.437 97 N HN 1.130 nan 8.380 nan 0.000 0.518 98 G N 0.858 109.615 108.800 -0.072 0.000 2.855 98 G HA2 -0.271 3.690 3.960 0.001 0.000 0.352 98 G HA3 -0.271 3.690 3.960 0.001 0.000 0.352 98 G C 0.937 175.759 174.900 -0.131 0.000 1.415 98 G CA -0.420 44.644 45.100 -0.060 0.000 0.871 98 G HN 0.444 nan 8.290 nan 0.000 0.543 99 G N -0.657 108.083 108.800 -0.100 0.000 2.448 99 G HA2 0.068 4.029 3.960 0.001 0.000 0.219 99 G HA3 0.068 4.029 3.960 0.001 0.000 0.219 99 G C 2.131 176.896 174.900 -0.224 0.000 1.127 99 G CA 2.033 47.054 45.100 -0.132 0.000 0.766 99 G HN 1.333 nan 8.290 nan 0.000 0.552 100 S N 0.228 115.801 115.700 -0.211 0.000 2.368 100 S HA -0.207 4.264 4.470 0.001 0.000 0.226 100 S C 2.103 176.166 174.600 -0.895 0.000 1.044 100 S CA 1.689 59.579 58.200 -0.516 0.000 1.062 100 S CB -0.306 62.807 63.200 -0.145 0.000 0.931 100 S HN 0.678 nan 8.310 nan 0.000 0.440 101 E N 0.814 120.666 120.200 -0.580 0.000 2.107 101 E HA -0.061 4.289 4.350 0.001 0.000 0.191 101 E C 2.140 178.259 176.600 -0.803 0.000 0.982 101 E CA 0.765 56.757 56.400 -0.680 0.000 0.809 101 E CB -0.229 29.088 29.700 -0.639 0.000 0.756 101 E HN 0.479 nan 8.360 nan 0.000 0.459 102 A N 0.909 123.369 122.820 -0.600 0.000 1.972 102 A HA -0.164 4.157 4.320 0.001 0.000 0.219 102 A C 2.076 179.451 177.584 -0.348 0.000 1.169 102 A CA 1.154 52.928 52.037 -0.439 0.000 0.635 102 A CB -0.509 18.314 19.000 -0.294 0.000 0.810 102 A HN 0.313 nan 8.150 nan 0.000 0.446 103 I N -1.044 119.248 120.570 -0.464 0.000 2.202 103 I HA -0.193 3.978 4.170 0.001 0.000 0.242 103 I C 2.390 178.086 176.117 -0.701 0.000 1.091 103 I CA 1.030 61.994 61.300 -0.560 0.000 1.368 103 I CB -0.278 37.381 38.000 -0.568 0.000 1.058 103 I HN 0.391 nan 8.210 nan 0.000 0.410 104 L N 0.511 121.344 121.223 -0.650 0.000 2.012 104 L HA -0.233 4.107 4.340 0.001 0.000 0.210 104 L C 2.261 179.183 176.870 0.088 0.000 1.073 104 L CA 2.057 56.735 54.840 -0.270 0.000 0.748 104 L CB -0.786 41.174 42.059 -0.164 0.000 0.891 104 L HN 0.029 nan 8.230 nan 0.000 0.431 105 F N -0.074 119.771 119.950 -0.174 0.000 2.102 105 F HA -0.159 4.368 4.527 0.001 0.000 0.298 105 F C 2.732 178.496 175.800 -0.059 0.000 1.105 105 F CA 1.277 59.221 58.000 -0.093 0.000 1.239 105 F CB -1.487 37.452 39.000 -0.102 0.000 0.991 105 F HN 0.095 nan 8.300 nan 0.000 0.474 106 S N 0.159 115.933 115.700 0.123 0.000 2.359 106 S HA -0.196 4.275 4.470 0.001 0.000 0.224 106 S C 1.999 176.720 174.600 0.202 0.000 1.035 106 S CA 1.281 59.533 58.200 0.087 0.000 1.018 106 S CB -0.672 62.568 63.200 0.066 0.000 0.876 106 S HN 0.144 nan 8.310 nan 0.000 0.448 107 F N 1.846 121.794 119.950 -0.004 0.000 2.095 107 F HA -0.072 4.456 4.527 0.001 0.000 0.298 107 F C 2.688 178.484 175.800 -0.006 0.000 1.104 107 F CA 0.384 58.387 58.000 0.005 0.000 1.232 107 F CB -1.428 37.606 39.000 0.057 0.000 0.987 107 F HN 0.204 nan 8.300 nan 0.000 0.475 108 A N -0.475 122.472 122.820 0.212 0.000 1.969 108 A HA -0.068 4.252 4.320 0.001 0.000 0.218 108 A C 2.413 179.993 177.584 -0.006 0.000 1.169 108 A CA 1.617 53.703 52.037 0.083 0.000 0.635 108 A CB -1.081 17.950 19.000 0.051 0.000 0.810 108 A HN 0.192 nan 8.150 nan 0.000 0.445 109 V N 0.597 120.494 119.914 -0.029 0.000 2.453 109 V HA -0.186 3.935 4.120 0.001 0.000 0.247 109 V C 2.376 178.379 176.094 -0.152 0.000 1.048 109 V CA 1.826 64.060 62.300 -0.111 0.000 1.049 109 V CB -0.574 31.181 31.823 -0.113 0.000 0.672 109 V HN 0.783 nan 8.190 nan 0.000 0.457 110 I N -1.682 118.813 120.570 -0.125 0.000 3.035 110 I HA 0.434 4.605 4.170 0.001 0.000 0.271 110 I C 0.950 177.055 176.117 -0.020 0.000 1.190 110 I CA 0.557 61.795 61.300 -0.103 0.000 1.472 110 I CB 0.011 37.942 38.000 -0.116 0.000 1.116 110 I HN 0.147 nan 8.210 nan 0.000 0.443 111 A N 1.595 124.401 122.820 -0.023 0.000 2.374 111 A HA 0.623 4.944 4.320 0.001 0.000 0.317 111 A C -0.781 176.793 177.584 -0.016 0.000 1.094 111 A CA -0.795 51.229 52.037 -0.023 0.000 0.765 111 A CB 0.885 19.853 19.000 -0.054 0.000 1.268 111 A HN 0.272 nan 8.150 nan 0.000 0.438 112 N N 0.716 119.407 118.700 -0.016 0.000 2.476 112 N HA 0.454 5.195 4.740 0.001 0.000 0.275 112 N C -2.814 172.695 175.510 -0.002 0.000 1.190 112 N CA -1.424 51.620 53.050 -0.010 0.000 0.977 112 N CB 0.406 38.886 38.487 -0.011 0.000 1.200 112 N HN 0.290 nan 8.380 nan 0.000 0.515 113 P HA 0.113 nan 4.420 nan 0.000 0.267 113 P C 0.732 178.036 177.300 0.006 0.000 1.209 113 P CA 0.636 63.743 63.100 0.013 0.000 0.763 113 P CB 0.330 32.040 31.700 0.017 0.000 0.816 114 G N 2.074 110.877 108.800 0.004 0.000 2.232 114 G HA2 -0.178 3.783 3.960 0.001 0.000 0.226 114 G HA3 -0.178 3.783 3.960 0.001 0.000 0.226 114 G C 0.145 175.039 174.900 -0.009 0.000 0.996 114 G CA -0.313 44.787 45.100 0.000 0.000 0.626 114 G HN 0.473 nan 8.290 nan 0.000 0.509 115 D N 1.129 121.518 120.400 -0.018 0.000 2.398 115 D HA 0.548 5.188 4.640 0.001 0.000 0.247 115 D C 0.664 176.934 176.300 -0.050 0.000 1.227 115 D CA 0.207 54.190 54.000 -0.029 0.000 0.980 115 D CB 0.561 41.343 40.800 -0.029 0.000 1.106 115 D HN 0.545 nan 8.370 nan 0.000 0.493 116 E N -0.182 119.983 120.200 -0.059 0.000 2.227 116 E HA 0.602 4.953 4.350 0.001 0.000 0.268 116 E C -0.540 175.985 176.600 -0.126 0.000 0.907 116 E CA -0.633 55.717 56.400 -0.083 0.000 0.786 116 E CB 2.257 31.927 29.700 -0.050 0.000 1.191 116 E HN 0.233 nan 8.360 nan 0.000 0.411 117 I N 3.090 123.547 120.570 -0.187 0.000 2.478 117 I HA 0.243 4.414 4.170 0.001 0.000 0.287 117 I C -0.596 175.385 176.117 -0.226 0.000 1.042 117 I CA -0.698 60.455 61.300 -0.245 0.000 1.067 117 I CB 1.302 39.031 38.000 -0.452 0.000 1.233 117 I HN 0.316 nan 8.210 nan 0.000 0.431 118 L N 6.348 127.461 121.223 -0.184 0.000 2.397 118 L HA 0.459 4.800 4.340 0.001 0.000 0.271 118 L C -0.233 176.498 176.870 -0.232 0.000 1.148 118 L CA -0.276 54.449 54.840 -0.192 0.000 0.825 118 L CB 1.359 43.329 42.059 -0.149 0.000 1.117 118 L HN 0.342 nan 8.230 nan 0.000 0.456 119 V N 4.857 124.601 119.914 -0.283 0.000 2.841 119 V HA 0.402 4.523 4.120 0.001 0.000 0.310 119 V C -0.488 175.464 176.094 -0.237 0.000 1.090 119 V CA -0.586 61.520 62.300 -0.323 0.000 0.930 119 V CB 2.308 33.748 31.823 -0.639 0.000 1.014 119 V HN 0.516 nan 8.190 nan 0.000 0.425 120 L N 5.834 127.002 121.223 -0.091 0.000 2.283 120 L HA 0.484 4.824 4.340 0.001 0.000 0.287 120 L C 0.447 177.398 176.870 0.135 0.000 1.073 120 L CA -0.008 54.845 54.840 0.023 0.000 0.822 120 L CB 0.670 42.782 42.059 0.089 0.000 1.186 120 L HN 0.647 nan 8.230 nan 0.000 0.436 121 E N 5.712 126.008 120.200 0.161 0.000 2.331 121 E HA 0.236 4.587 4.350 0.001 0.000 0.272 121 E C -2.171 174.517 176.600 0.146 0.000 1.036 121 E CA -1.776 54.778 56.400 0.256 0.000 0.864 121 E CB 1.034 30.933 29.700 0.331 0.000 1.035 121 E HN 0.302 nan 8.360 nan 0.000 0.408 122 P HA 0.106 nan 4.420 nan 0.000 0.274 122 P C -0.997 176.288 177.300 -0.024 0.000 1.231 122 P CA -0.018 62.803 63.100 -0.465 0.000 0.790 122 P CB 0.401 31.543 31.700 -0.930 0.000 0.951 123 F N -0.611 119.297 119.950 -0.069 0.000 2.664 123 F HA 0.481 5.008 4.527 0.001 0.000 0.317 123 F C -0.894 174.994 175.800 0.147 0.000 1.108 123 F CA -1.991 56.058 58.000 0.082 0.000 0.957 123 F CB 0.350 39.465 39.000 0.191 0.000 1.365 123 F HN 0.144 nan 8.300 nan 0.000 0.475 124 Y N 2.986 123.286 120.300 -0.001 0.000 2.828 124 Y HA 0.347 4.898 4.550 0.001 0.000 0.359 124 Y C 1.308 176.928 175.900 -0.466 0.000 1.258 124 Y CA -0.280 57.649 58.100 -0.286 0.000 1.652 124 Y CB 0.354 38.512 38.460 -0.504 0.000 1.232 124 Y HN 0.890 nan 8.280 nan 0.000 0.513 125 A N 4.591 126.905 122.820 -0.842 0.000 1.971 125 A HA -0.352 3.969 4.320 0.001 0.000 0.222 125 A C 2.097 179.247 177.584 -0.724 0.000 1.182 125 A CA 2.241 53.740 52.037 -0.897 0.000 0.649 125 A CB -0.501 17.915 19.000 -0.973 0.000 0.818 125 A HN 0.838 nan 8.150 nan 0.000 0.458 126 N N -1.103 116.929 118.700 -1.113 0.000 2.443 126 N HA -0.144 4.596 4.740 0.001 0.000 0.184 126 N C 1.157 176.216 175.510 -0.752 0.000 1.037 126 N CA 1.321 53.774 53.050 -0.994 0.000 0.896 126 N CB -0.590 37.236 38.487 -1.102 0.000 0.959 126 N HN 0.662 nan 8.380 nan 0.000 0.442 127 Y N 0.745 120.923 120.300 -0.203 0.000 2.274 127 Y HA -0.085 4.466 4.550 0.001 0.000 0.290 127 Y C 2.225 178.238 175.900 0.189 0.000 1.145 127 Y CA 0.517 58.749 58.100 0.220 0.000 1.203 127 Y CB -0.879 37.879 38.460 0.496 0.000 0.984 127 Y HN 0.112 nan 8.280 nan 0.000 0.533 128 N N 0.230 119.090 118.700 0.266 0.000 2.223 128 N HA -0.134 4.606 4.740 0.001 0.000 0.185 128 N C 1.870 177.392 175.510 0.021 0.000 1.016 128 N CA 1.166 54.330 53.050 0.190 0.000 0.863 128 N CB -0.313 38.269 38.487 0.159 0.000 0.983 128 N HN 0.305 nan 8.380 nan 0.000 0.429 129 A N -0.423 122.263 122.820 -0.223 0.000 1.898 129 A HA -0.036 4.285 4.320 0.001 0.000 0.216 129 A C 1.779 179.270 177.584 -0.155 0.000 1.181 129 A CA 1.062 52.923 52.037 -0.293 0.000 0.620 129 A CB -0.881 17.796 19.000 -0.539 0.000 0.819 129 A HN 0.295 nan 8.150 nan 0.000 0.442 130 F N 0.311 120.325 119.950 0.107 0.000 2.186 130 F HA 0.054 4.582 4.527 0.001 0.000 0.299 130 F C 2.736 178.692 175.800 0.259 0.000 1.090 130 F CA 0.321 58.376 58.000 0.092 0.000 1.307 130 F CB -1.040 37.899 39.000 -0.102 0.000 1.019 130 F HN 0.243 nan 8.300 nan 0.000 0.489 131 A N 0.473 123.620 122.820 0.545 0.000 1.877 131 A HA -0.197 4.124 4.320 0.001 0.000 0.216 131 A C 2.275 180.002 177.584 0.238 0.000 1.186 131 A CA 1.653 53.969 52.037 0.464 0.000 0.620 131 A CB -0.683 18.503 19.000 0.311 0.000 0.822 131 A HN 0.319 nan 8.150 nan 0.000 0.443 132 K N -0.500 119.998 120.400 0.164 0.000 2.057 132 K HA -0.059 4.262 4.320 0.001 0.000 0.207 132 K C 1.775 178.443 176.600 0.112 0.000 1.049 132 K CA 1.524 57.873 56.287 0.104 0.000 0.931 132 K CB -0.361 32.175 32.500 0.059 0.000 0.714 132 K HN 0.539 nan 8.250 nan 0.000 0.440 133 I N 0.722 121.377 120.570 0.141 0.000 2.226 133 I HA -0.239 3.932 4.170 0.001 0.000 0.245 133 I C 2.210 178.413 176.117 0.143 0.000 1.100 133 I CA 1.046 62.430 61.300 0.140 0.000 1.374 133 I CB -0.204 37.901 38.000 0.173 0.000 1.057 133 I HN 0.132 nan 8.210 nan 0.000 0.413 134 A N 0.134 123.065 122.820 0.185 0.000 2.208 134 A HA 0.255 4.576 4.320 0.001 0.000 0.209 134 A C 1.857 179.509 177.584 0.113 0.000 1.161 134 A CA 0.791 52.926 52.037 0.163 0.000 0.782 134 A CB -0.608 18.536 19.000 0.240 0.000 0.816 134 A HN 0.573 nan 8.150 nan 0.000 0.477 135 G N -1.350 107.511 108.800 0.102 0.000 2.143 135 G HA2 -0.193 3.767 3.960 0.001 0.000 0.248 135 G HA3 -0.193 3.767 3.960 0.001 0.000 0.248 135 G C 0.118 175.046 174.900 0.047 0.000 0.991 135 G CA 0.269 45.409 45.100 0.065 0.000 0.689 135 G HN 0.801 nan 8.290 nan 0.000 0.522 136 V N 0.275 120.221 119.914 0.053 0.000 2.539 136 V HA 0.510 4.630 4.120 0.001 0.000 0.292 136 V C 0.737 176.821 176.094 -0.018 0.000 1.045 136 V CA -0.613 61.683 62.300 -0.006 0.000 0.945 136 V CB 1.815 33.603 31.823 -0.058 0.000 0.993 136 V HN 0.371 nan 8.190 nan 0.000 0.464 137 K N 3.230 123.605 120.400 -0.041 0.000 2.201 137 K HA 0.494 4.814 4.320 0.001 0.000 0.278 137 K C -1.165 175.387 176.600 -0.079 0.000 1.027 137 K CA -0.635 55.633 56.287 -0.032 0.000 0.909 137 K CB 0.993 33.483 32.500 -0.017 0.000 1.062 137 K HN 0.456 nan 8.250 nan 0.000 0.465 138 L N 6.228 127.414 121.223 -0.061 0.000 2.272 138 L HA 0.369 4.710 4.340 0.001 0.000 0.289 138 L C -0.934 175.878 176.870 -0.097 0.000 1.032 138 L CA -0.427 54.341 54.840 -0.120 0.000 0.810 138 L CB 1.166 43.179 42.059 -0.075 0.000 1.205 138 L HN 0.573 nan 8.230 nan 0.000 0.422 139 I N 7.395 127.884 120.570 -0.135 0.000 2.312 139 I HA 0.353 4.524 4.170 0.001 0.000 0.290 139 I C -2.166 173.843 176.117 -0.180 0.000 1.008 139 I CA -2.255 58.985 61.300 -0.101 0.000 1.226 139 I CB 1.261 39.225 38.000 -0.061 0.000 1.371 139 I HN 0.399 nan 8.210 nan 0.000 0.468 140 P HA 0.214 nan 4.420 nan 0.000 0.279 140 P C -0.608 176.483 177.300 -0.347 0.000 1.239 140 P CA -0.285 62.722 63.100 -0.155 0.000 0.789 140 P CB 1.712 33.435 31.700 0.038 0.000 0.933 141 V N 3.482 123.183 119.914 -0.356 0.000 2.305 141 V HA 0.151 4.271 4.120 0.001 0.000 0.275 141 V C 0.421 176.434 176.094 -0.135 0.000 1.020 141 V CA -0.385 61.595 62.300 -0.532 0.000 0.811 141 V CB 0.919 32.410 31.823 -0.555 0.000 1.031 141 V HN 0.523 nan 8.190 nan 0.000 0.439 142 T N 5.802 120.343 114.554 -0.021 0.000 2.928 142 T HA 0.311 4.661 4.350 0.001 0.000 0.305 142 T C 0.216 175.023 174.700 0.179 0.000 1.035 142 T CA 0.187 62.379 62.100 0.152 0.000 1.145 142 T CB 0.323 69.295 68.868 0.174 0.000 0.963 142 T HN 0.562 nan 8.240 nan 0.000 0.545 143 R N 1.951 122.615 120.500 0.274 0.000 2.740 143 R HA 0.631 4.971 4.340 0.001 0.000 0.282 143 R C 0.089 176.558 176.300 0.282 0.000 0.969 143 R CA -0.992 55.283 56.100 0.291 0.000 0.918 143 R CB 2.232 32.780 30.300 0.414 0.000 1.175 143 R HN 0.543 nan 8.270 nan 0.000 0.464 147 E N 0.641 120.732 120.200 -0.181 0.000 2.476 147 E HA 0.178 4.529 4.350 0.001 0.000 0.196 147 E C 0.751 177.298 176.600 -0.089 0.000 1.029 147 E CA 0.373 56.712 56.400 -0.102 0.000 0.896 147 E CB 1.003 30.669 29.700 -0.057 0.000 1.012 147 E HN 0.322 nan 8.360 nan 0.000 0.475 148 G N 1.427 110.131 108.800 -0.159 0.000 2.198 148 G HA2 -0.323 3.637 3.960 0.001 0.000 0.260 148 G HA3 -0.323 3.637 3.960 0.001 0.000 0.260 148 G C 0.236 175.179 174.900 0.072 0.000 1.025 148 G CA 0.037 45.099 45.100 -0.063 0.000 0.769 148 G HN 0.355 nan 8.290 nan 0.000 0.507 149 F N -2.641 117.334 119.950 0.043 0.000 3.067 149 F HA -0.158 4.370 4.527 0.001 0.000 0.279 149 F C 1.547 177.428 175.800 0.136 0.000 0.945 149 F CA 0.854 58.900 58.000 0.076 0.000 0.948 149 F CB -1.877 37.150 39.000 0.045 0.000 0.898 149 F HN 1.164 nan 8.300 nan 0.000 0.746 150 A N 0.092 123.054 122.820 0.237 0.000 2.313 150 A HA 0.643 4.964 4.320 0.001 0.000 0.261 150 A C 0.543 178.282 177.584 0.259 0.000 1.090 150 A CA -0.548 51.648 52.037 0.265 0.000 0.807 150 A CB 0.470 19.556 19.000 0.143 0.000 1.055 150 A HN 0.318 nan 8.150 nan 0.000 0.492 151 I N 2.507 123.209 120.570 0.220 0.000 2.517 151 I HA 0.151 4.321 4.170 0.001 0.000 0.285 151 I C -1.582 174.601 176.117 0.110 0.000 1.106 151 I CA -1.186 60.184 61.300 0.117 0.000 1.402 151 I CB 0.500 38.513 38.000 0.022 0.000 1.399 151 I HN 0.493 nan 8.210 nan 0.000 0.535 152 P HA 0.104 nan 4.420 nan 0.000 0.272 152 P C 0.293 177.675 177.300 0.136 0.000 1.223 152 P CA -0.191 62.982 63.100 0.122 0.000 0.784 152 P CB 0.766 32.553 31.700 0.144 0.000 0.923 153 Q N 2.167 122.033 119.800 0.110 0.000 2.291 153 Q HA -0.150 4.191 4.340 0.001 0.000 0.205 153 Q C 1.266 177.349 176.000 0.137 0.000 0.970 153 Q CA 1.729 57.599 55.803 0.112 0.000 0.876 153 Q CB -1.193 27.585 28.738 0.066 0.000 0.935 153 Q HN 0.721 nan 8.270 nan 0.000 0.455 154 N N -0.093 118.700 118.700 0.156 0.000 2.322 154 N HA 0.079 4.819 4.740 0.001 0.000 0.216 154 N C 1.101 176.772 175.510 0.268 0.000 1.144 154 N CA 0.311 53.452 53.050 0.151 0.000 0.830 154 N CB 0.106 38.657 38.487 0.107 0.000 1.034 154 N HN 0.360 nan 8.380 nan 0.000 0.484 155 L N 0.876 122.258 121.223 0.264 0.000 2.042 155 L HA -0.089 4.252 4.340 0.001 0.000 0.210 155 L C 1.830 178.833 176.870 0.221 0.000 1.076 155 L CA 1.871 56.876 54.840 0.275 0.000 0.749 155 L CB -0.503 41.648 42.059 0.154 0.000 0.893 155 L HN 0.195 nan 8.230 nan 0.000 0.432 156 E N -1.042 119.214 120.200 0.094 0.000 2.204 156 E HA -0.159 4.192 4.350 0.001 0.000 0.195 156 E C 2.044 178.608 176.600 -0.061 0.000 0.990 156 E CA 1.073 57.456 56.400 -0.028 0.000 0.821 156 E CB -0.081 29.620 29.700 0.003 0.000 0.750 156 E HN 0.531 nan 8.360 nan 0.000 0.477 157 S N 0.506 116.169 115.700 -0.061 0.000 2.419 157 S HA -0.100 4.370 4.470 0.001 0.000 0.233 157 S C 1.367 175.790 174.600 -0.295 0.000 1.016 157 S CA 0.836 58.906 58.200 -0.216 0.000 0.974 157 S CB -0.169 62.815 63.200 -0.361 0.000 0.786 157 S HN 0.241 nan 8.310 nan 0.000 0.492 158 F N 1.264 121.177 119.950 -0.062 0.000 2.780 158 F HA 0.302 4.829 4.527 0.001 0.000 0.299 158 F C 0.815 176.561 175.800 -0.091 0.000 1.146 158 F CA -0.123 57.840 58.000 -0.061 0.000 1.428 158 F CB -0.390 38.581 39.000 -0.049 0.000 1.115 158 F HN 0.067 nan 8.300 nan 0.000 0.583 159 I N 1.829 122.398 120.570 -0.002 0.000 2.529 159 I HA 0.097 4.267 4.170 0.001 0.000 0.284 159 I C -0.046 176.026 176.117 -0.074 0.000 1.082 159 I CA -0.195 61.049 61.300 -0.093 0.000 1.406 159 I CB 0.579 38.399 38.000 -0.299 0.000 1.405 159 I HN 0.184 nan 8.210 nan 0.000 0.548 160 N N 3.554 122.227 118.700 -0.047 0.000 3.316 160 N HA 0.134 4.875 4.740 0.001 0.000 0.300 160 N C 0.351 175.851 175.510 -0.015 0.000 1.567 160 N CA -0.780 52.254 53.050 -0.027 0.000 0.821 160 N CB 0.298 38.776 38.487 -0.016 0.000 1.748 160 N HN 0.475 nan 8.380 nan 0.000 0.603 161 E N 0.328 120.524 120.200 -0.007 0.000 2.265 161 E HA -0.167 4.184 4.350 0.001 0.000 0.196 161 E C 0.604 177.202 176.600 -0.004 0.000 0.996 161 E CA 1.191 57.590 56.400 -0.002 0.000 0.832 161 E CB -0.211 29.489 29.700 -0.000 0.000 0.756 161 E HN 0.664 nan 8.360 nan 0.000 0.491 162 R N 0.595 121.091 120.500 -0.008 0.000 2.297 162 R HA 0.129 4.470 4.340 0.001 0.000 0.197 162 R C 0.335 176.624 176.300 -0.019 0.000 0.943 162 R CA 0.371 56.465 56.100 -0.011 0.000 1.038 162 R CB 0.022 30.316 30.300 -0.010 0.000 0.957 162 R HN 0.006 nan 8.270 nan 0.000 0.484 163 T N 1.901 116.442 114.554 -0.021 0.000 2.799 163 T HA 0.106 4.456 4.350 0.001 0.000 0.296 163 T C 0.975 175.662 174.700 -0.022 0.000 0.947 163 T CA 0.137 62.217 62.100 -0.033 0.000 1.141 163 T CB 1.148 69.991 68.868 -0.042 0.000 0.891 163 T HN -0.053 nan 8.240 nan 0.000 0.533 164 K N 1.440 121.825 120.400 -0.024 0.000 2.412 164 K HA 0.322 4.643 4.320 0.001 0.000 0.202 164 K C 0.903 177.532 176.600 0.049 0.000 1.102 164 K CA 0.009 56.307 56.287 0.018 0.000 1.027 164 K CB 1.481 33.993 32.500 0.020 0.000 0.931 164 K HN 0.799 nan 8.250 nan 0.000 0.557 165 G N 0.480 109.274 108.800 -0.010 0.000 2.495 165 G HA2 0.538 4.499 3.960 0.001 0.000 0.294 165 G HA3 0.538 4.499 3.960 0.001 0.000 0.294 165 G C -1.690 173.174 174.900 -0.061 0.000 1.397 165 G CA -0.767 44.337 45.100 0.007 0.000 0.790 165 G HN -0.041 nan 8.290 nan 0.000 0.486 166 I N -0.105 120.438 120.570 -0.044 0.000 2.582 166 I HA 0.645 4.816 4.170 0.001 0.000 0.292 166 I C -0.858 175.221 176.117 -0.063 0.000 1.066 166 I CA -1.244 60.010 61.300 -0.077 0.000 1.053 166 I CB 2.245 40.207 38.000 -0.063 0.000 1.241 166 I HN 0.416 nan 8.210 nan 0.000 0.421 167 V N 7.493 127.346 119.914 -0.103 0.000 2.789 167 V HA 0.775 4.896 4.120 0.001 0.000 0.311 167 V C -1.142 174.909 176.094 -0.072 0.000 1.073 167 V CA -0.357 61.883 62.300 -0.099 0.000 0.921 167 V CB 2.219 33.949 31.823 -0.155 0.000 1.009 167 V HN 0.681 nan 8.190 nan 0.000 0.426 168 L N 3.419 124.648 121.223 0.009 0.000 2.838 168 L HA 0.913 5.254 4.340 0.001 0.000 0.266 168 L C -0.899 176.119 176.870 0.245 0.000 1.040 168 L CA -0.670 54.266 54.840 0.161 0.000 0.906 168 L CB 2.006 44.155 42.059 0.150 0.000 1.501 168 L HN 0.639 nan 8.230 nan 0.000 0.407 169 S N 0.438 116.336 115.700 0.330 0.000 2.501 169 S HA 0.757 5.227 4.470 0.001 0.000 0.301 169 S C -0.817 173.946 174.600 0.271 0.000 1.096 169 S CA -0.582 57.801 58.200 0.306 0.000 1.063 169 S CB 1.461 64.847 63.200 0.311 0.000 1.042 169 S HN 0.754 nan 8.310 nan 0.000 0.494 170 N N 1.842 120.705 118.700 0.272 0.000 2.571 170 N HA 0.466 5.207 4.740 0.001 0.000 0.286 170 N C -3.321 172.352 175.510 0.272 0.000 1.138 170 N CA -1.386 51.851 53.050 0.313 0.000 0.859 170 N CB 1.770 40.514 38.487 0.429 0.000 1.414 170 N HN 0.274 nan 8.380 nan 0.000 0.529 171 P HA 0.028 nan 4.420 nan 0.000 0.267 171 P C -0.075 177.211 177.300 -0.024 0.000 1.200 171 P CA -0.308 62.764 63.100 -0.046 0.000 0.772 171 P CB 0.531 32.096 31.700 -0.225 0.000 0.855 172 C N 3.826 123.077 119.300 -0.081 0.000 2.463 172 C HA 0.436 4.897 4.460 0.001 0.000 0.380 172 C C 0.175 175.019 174.990 -0.243 0.000 1.264 172 C CA -0.111 58.859 59.018 -0.080 0.000 2.161 172 C CB -0.993 26.711 27.740 -0.062 0.000 2.515 172 C HN 0.528 nan 8.230 nan 0.000 0.565 173 N N 4.978 123.540 118.700 -0.231 0.000 2.407 173 N HA 0.512 5.253 4.740 0.001 0.000 0.277 173 N C -1.941 173.379 175.510 -0.315 0.000 0.995 173 N CA -2.202 50.581 53.050 -0.445 0.000 0.903 173 N CB 2.088 40.321 38.487 -0.423 0.000 1.218 173 N HN 0.522 nan 8.380 nan 0.000 0.487 174 P HA 0.109 nan 4.420 nan 0.000 0.267 174 P C 0.724 177.726 177.300 -0.497 0.000 1.289 174 P CA 0.331 63.010 63.100 -0.703 0.000 0.866 174 P CB 0.243 31.331 31.700 -1.020 0.000 1.309 175 T N -4.027 110.230 114.554 -0.494 0.000 2.904 175 T HA 0.122 4.473 4.350 0.001 0.000 0.267 175 T C 1.704 176.254 174.700 -0.250 0.000 1.059 175 T CA 1.245 63.041 62.100 -0.507 0.000 1.137 175 T CB -1.342 67.061 68.868 -0.776 0.000 0.879 175 T HN 0.191 nan 8.240 nan 0.000 0.467 176 G N 1.145 109.809 108.800 -0.227 0.000 2.143 176 G HA2 -0.219 3.742 3.960 0.001 0.000 0.248 176 G HA3 -0.219 3.742 3.960 0.001 0.000 0.248 176 G C 0.191 175.006 174.900 -0.141 0.000 0.991 176 G CA 0.224 45.229 45.100 -0.159 0.000 0.689 176 G HN 1.512 nan 8.290 nan 0.000 0.522 177 V N -2.064 117.740 119.914 -0.184 0.000 2.881 177 V HA 0.783 4.903 4.120 0.001 0.000 0.303 177 V C 0.558 176.481 176.094 -0.285 0.000 1.070 177 V CA -0.731 61.427 62.300 -0.236 0.000 1.074 177 V CB 2.008 33.623 31.823 -0.345 0.000 1.012 177 V HN 0.641 nan 8.190 nan 0.000 0.482 178 V N 4.685 124.442 119.914 -0.262 0.000 2.409 178 V HA 0.373 4.494 4.120 0.001 0.000 0.290 178 V C -0.965 175.063 176.094 -0.111 0.000 1.017 178 V CA -0.433 61.801 62.300 -0.109 0.000 0.841 178 V CB 1.023 32.850 31.823 0.008 0.000 1.003 178 V HN 0.837 nan 8.190 nan 0.000 0.426 179 Y N 3.004 123.382 120.300 0.130 0.000 2.393 179 Y HA 0.547 5.098 4.550 0.001 0.000 0.338 179 Y C 1.233 177.167 175.900 0.057 0.000 1.029 179 Y CA 0.294 58.449 58.100 0.091 0.000 1.239 179 Y CB 0.922 39.437 38.460 0.092 0.000 1.170 179 Y HN 0.708 nan 8.280 nan 0.000 0.515 180 G N 2.285 111.194 108.800 0.181 0.000 2.621 180 G HA2 0.087 4.048 3.960 0.001 0.000 0.271 180 G HA3 0.087 4.048 3.960 0.001 0.000 0.271 180 G C 0.885 175.814 174.900 0.047 0.000 1.236 180 G CA -0.522 44.627 45.100 0.081 0.000 0.958 180 G HN 0.644 nan 8.290 nan 0.000 0.512 181 K N -0.398 120.002 120.400 0.000 0.000 2.044 181 K HA -0.143 4.177 4.320 0.001 0.000 0.210 181 K C 1.945 178.558 176.600 0.022 0.000 1.049 181 K CA 2.323 58.603 56.287 -0.012 0.000 0.927 181 K CB -0.361 32.127 32.500 -0.019 0.000 0.713 181 K HN 0.442 nan 8.250 nan 0.000 0.443 182 D N 0.622 121.043 120.400 0.035 0.000 2.104 182 D HA -0.111 4.529 4.640 0.001 0.000 0.194 182 D C 0.456 176.801 176.300 0.075 0.000 0.994 182 D CA 0.990 55.018 54.000 0.046 0.000 0.830 182 D CB -0.251 40.569 40.800 0.033 0.000 0.959 182 D HN 0.444 nan 8.370 nan 0.000 0.452 186 Y N 1.837 122.125 120.300 -0.020 0.000 2.151 186 Y HA -0.183 4.368 4.550 0.001 0.000 0.284 186 Y C 1.771 177.655 175.900 -0.026 0.000 1.166 186 Y CA 2.205 60.294 58.100 -0.019 0.000 1.163 186 Y CB -0.110 38.340 38.460 -0.017 0.000 0.974 186 Y HN 0.249 nan 8.280 nan 0.000 0.511 187 L N -0.694 120.492 121.223 -0.062 0.000 2.141 187 L HA -0.103 4.237 4.340 0.001 0.000 0.209 187 L C 2.276 179.058 176.870 -0.147 0.000 1.094 187 L CA 1.288 56.031 54.840 -0.163 0.000 0.763 187 L CB -0.715 41.304 42.059 -0.066 0.000 0.908 187 L HN 0.199 nan 8.230 nan 0.000 0.437 188 V N -0.721 119.140 119.914 -0.088 0.000 2.453 188 V HA -0.231 3.890 4.120 0.001 0.000 0.247 188 V C 2.363 178.398 176.094 -0.098 0.000 1.048 188 V CA 1.600 63.857 62.300 -0.072 0.000 1.049 188 V CB -0.498 31.301 31.823 -0.039 0.000 0.672 188 V HN 0.463 nan 8.190 nan 0.000 0.457 189 E N 0.042 120.173 120.200 -0.115 0.000 2.110 189 E HA -0.202 4.149 4.350 0.001 0.000 0.193 189 E C 2.177 178.688 176.600 -0.148 0.000 0.988 189 E CA 1.479 57.807 56.400 -0.119 0.000 0.804 189 E CB -0.182 29.458 29.700 -0.100 0.000 0.745 189 E HN 0.550 nan 8.360 nan 0.000 0.458 190 I N 0.969 121.411 120.570 -0.214 0.000 2.252 190 I HA -0.260 3.911 4.170 0.001 0.000 0.245 190 I C 2.554 178.653 176.117 -0.031 0.000 1.102 190 I CA 0.807 62.027 61.300 -0.133 0.000 1.385 190 I CB -0.320 37.536 38.000 -0.240 0.000 1.064 190 I HN 0.095 nan 8.210 nan 0.000 0.414 191 A N 0.674 123.445 122.820 -0.081 0.000 1.865 191 A HA -0.254 4.067 4.320 0.001 0.000 0.217 191 A C 2.207 179.735 177.584 -0.093 0.000 1.191 191 A CA 1.893 53.886 52.037 -0.072 0.000 0.623 191 A CB -0.670 18.279 19.000 -0.086 0.000 0.826 191 A HN 0.445 nan 8.150 nan 0.000 0.444 192 E N -1.023 119.110 120.200 -0.112 0.000 2.077 192 E HA -0.202 4.148 4.350 0.001 0.000 0.193 192 E C 2.326 178.846 176.600 -0.134 0.000 0.989 192 E CA 1.068 57.392 56.400 -0.127 0.000 0.800 192 E CB -0.196 29.439 29.700 -0.109 0.000 0.746 192 E HN 0.584 nan 8.360 nan 0.000 0.452 193 R N 0.343 120.753 120.500 -0.151 0.000 2.096 193 R HA -0.133 4.208 4.340 0.001 0.000 0.235 193 R C 1.415 177.494 176.300 -0.367 0.000 1.127 193 R CA 1.259 57.205 56.100 -0.258 0.000 0.968 193 R CB 0.043 30.155 30.300 -0.313 0.000 0.861 193 R HN 0.305 nan 8.270 nan 0.000 0.440 194 H N -1.486 117.528 119.070 -0.093 0.000 2.520 194 H HA 0.163 4.719 4.556 0.001 0.000 0.284 194 H C 0.587 175.858 175.328 -0.095 0.000 1.037 194 H CA 0.605 56.605 56.048 -0.081 0.000 1.168 194 H CB 0.992 30.712 29.762 -0.070 0.000 1.497 194 H HN 0.502 nan 8.280 nan 0.000 0.547 195 G N 1.759 110.525 108.800 -0.056 0.000 2.273 195 G HA2 -0.270 3.691 3.960 0.001 0.000 0.280 195 G HA3 -0.270 3.691 3.960 0.001 0.000 0.280 195 G C -0.023 174.780 174.900 -0.161 0.000 1.047 195 G CA 0.204 45.229 45.100 -0.125 0.000 0.869 195 G HN 0.278 nan 8.290 nan 0.000 0.502 196 L N -1.304 119.828 121.223 -0.152 0.000 2.330 196 L HA 0.752 5.092 4.340 0.001 0.000 0.271 196 L C 0.330 177.070 176.870 -0.216 0.000 1.013 196 L CA -1.309 53.460 54.840 -0.120 0.000 0.816 196 L CB 1.268 43.304 42.059 -0.039 0.000 1.287 196 L HN 0.008 nan 8.230 nan 0.000 0.435 197 F N 1.879 121.817 119.950 -0.021 0.000 2.394 197 F HA 0.350 4.878 4.527 0.001 0.000 0.340 197 F C 0.042 175.828 175.800 -0.023 0.000 1.105 197 F CA -0.375 57.616 58.000 -0.015 0.000 1.124 197 F CB 1.381 40.380 39.000 -0.002 0.000 1.145 197 F HN 0.162 nan 8.300 nan 0.000 0.505 198 L N 5.548 126.865 121.223 0.158 0.000 2.276 198 L HA 0.508 4.848 4.340 0.001 0.000 0.286 198 L C -0.758 176.170 176.870 0.097 0.000 1.024 198 L CA -0.258 54.629 54.840 0.079 0.000 0.826 198 L CB 0.246 42.322 42.059 0.029 0.000 1.211 198 L HN 0.411 nan 8.230 nan 0.000 0.422 199 I N 6.215 126.830 120.570 0.076 0.000 2.297 199 I HA 0.303 4.474 4.170 0.001 0.000 0.291 199 I C -0.625 175.524 176.117 0.053 0.000 1.033 199 I CA -0.640 60.700 61.300 0.067 0.000 1.253 199 I CB 1.209 39.258 38.000 0.082 0.000 1.396 199 I HN 0.243 nan 8.210 nan 0.000 0.476 200 V N 5.048 125.005 119.914 0.072 0.000 2.334 200 V HA 0.190 4.310 4.120 0.001 0.000 0.281 200 V C -0.070 176.101 176.094 0.130 0.000 1.016 200 V CA -0.629 61.736 62.300 0.108 0.000 0.832 200 V CB 1.596 33.491 31.823 0.121 0.000 0.999 200 V HN 0.604 nan 8.190 nan 0.000 0.439 201 D N 4.313 124.810 120.400 0.161 0.000 2.393 201 D HA 0.149 4.789 4.640 0.001 0.000 0.232 201 D C 0.523 176.932 176.300 0.182 0.000 1.192 201 D CA -0.099 54.005 54.000 0.174 0.000 0.882 201 D CB 0.867 41.834 40.800 0.279 0.000 1.038 201 D HN 0.668 nan 8.370 nan 0.000 0.499 202 E N 2.788 123.089 120.200 0.169 0.000 2.511 202 E HA 0.038 4.389 4.350 0.001 0.000 0.214 202 E C 1.752 178.386 176.600 0.057 0.000 1.062 202 E CA -0.122 56.391 56.400 0.189 0.000 1.213 202 E CB 0.655 30.561 29.700 0.344 0.000 1.214 202 E HN 0.427 nan 8.360 nan 0.000 0.441 203 V N -2.077 117.802 119.914 -0.059 0.000 2.594 203 V HA -0.246 3.875 4.120 0.001 0.000 0.253 203 V C 1.351 177.190 176.094 -0.426 0.000 1.069 203 V CA 1.323 63.468 62.300 -0.258 0.000 1.082 203 V CB -0.789 30.787 31.823 -0.410 0.000 0.680 203 V HN 0.322 nan 8.190 nan 0.000 0.469 204 Y N 2.293 122.486 120.300 -0.179 0.000 2.461 204 Y HA 0.367 4.918 4.550 0.001 0.000 0.277 204 Y C 1.747 177.424 175.900 -0.371 0.000 1.182 204 Y CA -0.035 57.891 58.100 -0.291 0.000 1.276 204 Y CB -0.602 37.640 38.460 -0.363 0.000 1.087 204 Y HN 0.411 nan 8.280 nan 0.000 0.519 205 S N 0.207 115.740 115.700 -0.279 0.000 2.568 205 S HA 0.069 4.540 4.470 0.001 0.000 0.282 205 S C 0.612 175.035 174.600 -0.294 0.000 1.338 205 S CA 0.018 57.897 58.200 -0.536 0.000 1.045 205 S CB 1.063 64.052 63.200 -0.351 0.000 0.873 205 S HN 0.486 nan 8.310 nan 0.000 0.516 206 E N -0.306 119.708 120.200 -0.309 0.000 4.374 206 E HA -0.185 4.166 4.350 0.001 0.000 0.251 206 E C -0.043 176.474 176.600 -0.139 0.000 0.709 206 E CA 1.416 57.740 56.400 -0.127 0.000 2.266 206 E CB -1.488 28.245 29.700 0.056 0.000 1.709 206 E HN 0.837 nan 8.360 nan 0.000 0.570 207 I N 2.616 123.045 120.570 -0.235 0.000 2.261 207 I HA 0.192 4.363 4.170 0.001 0.000 0.285 207 I C -0.109 175.603 176.117 -0.675 0.000 1.113 207 I CA -0.239 60.868 61.300 -0.322 0.000 1.377 207 I CB 0.466 38.325 38.000 -0.235 0.000 1.530 207 I HN -0.206 nan 8.210 nan 0.000 0.607 208 V N 3.527 123.063 119.914 -0.630 0.000 2.588 208 V HA 0.363 4.484 4.120 0.001 0.000 0.304 208 V C -0.041 175.749 176.094 -0.505 0.000 1.042 208 V CA -0.295 61.636 62.300 -0.616 0.000 0.877 208 V CB 2.006 33.645 31.823 -0.308 0.000 0.996 208 V HN 0.355 nan 8.190 nan 0.000 0.425 209 F N 1.751 121.695 119.950 -0.011 0.000 2.532 209 F HA 0.434 4.962 4.527 0.001 0.000 0.278 209 F C 1.205 177.013 175.800 0.013 0.000 0.975 209 F CA -0.230 57.772 58.000 0.004 0.000 1.292 209 F CB -0.030 38.971 39.000 0.002 0.000 1.112 209 F HN 0.249 nan 8.300 nan 0.000 0.703 210 R N 0.316 120.926 120.500 0.182 0.000 2.540 210 R HA 0.546 4.887 4.340 0.001 0.000 0.287 210 R C 0.280 176.625 176.300 0.075 0.000 0.980 210 R CA -0.045 56.123 56.100 0.114 0.000 0.966 210 R CB 1.115 31.477 30.300 0.102 0.000 1.106 210 R HN 0.343 nan 8.270 nan 0.000 0.480 211 G N 0.109 108.949 108.800 0.067 0.000 2.877 211 G HA2 -0.186 3.774 3.960 0.001 0.000 0.279 211 G HA3 -0.186 3.774 3.960 0.001 0.000 0.279 211 G C -0.680 174.263 174.900 0.073 0.000 1.431 211 G CA -0.170 44.967 45.100 0.063 0.000 0.883 211 G HN 0.769 nan 8.290 nan 0.000 0.547 212 E N -0.713 119.529 120.200 0.071 0.000 2.109 212 E HA 0.597 4.947 4.350 0.001 0.000 0.278 212 E C -0.250 176.414 176.600 0.107 0.000 0.954 212 E CA -0.366 56.080 56.400 0.077 0.000 0.779 212 E CB 1.164 30.890 29.700 0.042 0.000 1.093 212 E HN 1.602 nan 8.360 nan 0.000 0.401 213 F N 2.628 122.572 119.950 -0.010 0.000 2.443 213 F HA 0.561 5.088 4.527 0.001 0.000 0.353 213 F C 0.428 176.234 175.800 0.010 0.000 1.101 213 F CA -0.580 57.418 58.000 -0.003 0.000 1.226 213 F CB 1.028 40.013 39.000 -0.025 0.000 1.140 213 F HN 0.535 nan 8.300 nan 0.000 0.557 214 A N 4.921 127.255 122.820 -0.810 0.000 2.335 214 A HA 0.511 4.832 4.320 0.001 0.000 0.304 214 A C -0.453 176.608 177.584 -0.871 0.000 1.118 214 A CA -0.594 51.085 52.037 -0.596 0.000 0.757 214 A CB 0.941 19.779 19.000 -0.271 0.000 1.188 214 A HN 0.793 nan 8.150 nan 0.000 0.460 215 S N 1.672 117.062 115.700 -0.517 0.000 2.572 215 S HA 0.367 4.837 4.470 0.001 0.000 0.279 215 S C 1.546 176.087 174.600 -0.098 0.000 1.341 215 S CA 0.165 58.245 58.200 -0.199 0.000 1.043 215 S CB 0.757 64.054 63.200 0.161 0.000 0.887 215 S HN 1.611 nan 8.310 nan 0.000 0.516 216 A N 4.505 127.319 122.820 -0.009 0.000 2.019 216 A HA 0.014 4.334 4.320 0.001 0.000 0.219 216 A C 1.939 179.529 177.584 0.011 0.000 1.164 216 A CA 1.162 53.201 52.037 0.004 0.000 0.644 216 A CB -0.660 18.365 19.000 0.041 0.000 0.805 216 A HN 0.865 nan 8.150 nan 0.000 0.449 217 L N 0.535 121.776 121.223 0.030 0.000 2.362 217 L HA -0.129 4.212 4.340 0.001 0.000 0.219 217 L C 2.764 179.645 176.870 0.018 0.000 1.134 217 L CA 1.131 55.983 54.840 0.020 0.000 0.807 217 L CB -0.453 41.612 42.059 0.010 0.000 0.927 217 L HN 0.597 nan 8.230 nan 0.000 0.447 218 S N 0.055 115.761 115.700 0.010 0.000 2.442 218 S HA -0.065 4.405 4.470 0.001 0.000 0.236 218 S C 0.974 175.570 174.600 -0.006 0.000 1.007 218 S CA 0.433 58.632 58.200 -0.003 0.000 0.965 218 S CB -0.525 62.657 63.200 -0.031 0.000 0.773 218 S HN 0.348 nan 8.310 nan 0.000 0.504 219 I N 2.551 123.116 120.570 -0.008 0.000 2.287 219 I HA 0.361 4.532 4.170 0.001 0.000 0.290 219 I C 0.605 176.720 176.117 -0.002 0.000 1.069 219 I CA -0.202 61.094 61.300 -0.006 0.000 1.237 219 I CB 0.532 38.526 38.000 -0.009 0.000 1.418 219 I HN 0.302 nan 8.210 nan 0.000 0.481 220 E N 4.969 125.169 120.200 -0.000 0.000 2.271 220 E HA 0.291 4.642 4.350 0.001 0.000 0.255 220 E C -0.099 176.500 176.600 -0.002 0.000 1.177 220 E CA 0.024 56.426 56.400 0.002 0.000 0.946 220 E CB 0.750 30.452 29.700 0.003 0.000 1.009 220 E HN 0.562 nan 8.360 nan 0.000 0.451 221 S N 1.117 116.818 115.700 0.001 0.000 2.540 221 S HA 0.372 4.843 4.470 0.001 0.000 0.275 221 S C -0.037 174.569 174.600 0.010 0.000 1.123 221 S CA -0.390 57.807 58.200 -0.006 0.000 0.907 221 S CB 1.994 65.185 63.200 -0.015 0.000 1.081 221 S HN 0.502 nan 8.310 nan 0.000 0.476 222 D N 1.553 121.955 120.400 0.003 0.000 2.349 222 D HA 0.183 4.824 4.640 0.001 0.000 0.224 222 D C 0.959 177.296 176.300 0.063 0.000 1.029 222 D CA 0.711 54.732 54.000 0.034 0.000 0.879 222 D CB 0.326 41.135 40.800 0.014 0.000 0.906 222 D HN 0.309 nan 8.370 nan 0.000 0.528 223 K N -0.345 120.053 120.400 -0.004 0.000 2.358 223 K HA 0.185 4.505 4.320 0.001 0.000 0.200 223 K C -0.272 176.417 176.600 0.148 0.000 1.030 223 K CA -0.067 56.197 56.287 -0.039 0.000 1.097 223 K CB 1.432 33.792 32.500 -0.233 0.000 0.862 223 K HN 0.012 nan 8.250 nan 0.000 0.534 224 V N 1.951 121.934 119.914 0.115 0.000 2.465 224 V HA 0.254 4.374 4.120 0.001 0.000 0.279 224 V C -0.029 176.129 176.094 0.108 0.000 1.045 224 V CA -0.712 61.648 62.300 0.099 0.000 0.938 224 V CB 1.861 33.712 31.823 0.046 0.000 0.986 224 V HN -0.220 nan 8.190 nan 0.000 0.467 225 V N 5.719 125.690 119.914 0.094 0.000 2.483 225 V HA 0.434 4.555 4.120 0.001 0.000 0.297 225 V C -0.252 175.858 176.094 0.027 0.000 1.027 225 V CA -0.548 61.780 62.300 0.047 0.000 0.855 225 V CB 1.983 33.827 31.823 0.035 0.000 0.995 225 V HN 0.595 nan 8.190 nan 0.000 0.424 226 V N 5.931 125.841 119.914 -0.007 0.000 2.532 226 V HA 0.540 4.660 4.120 0.001 0.000 0.295 226 V C -0.265 175.814 176.094 -0.026 0.000 1.041 226 V CA -0.546 61.758 62.300 0.008 0.000 0.926 226 V CB 1.946 33.775 31.823 0.010 0.000 0.992 226 V HN 0.579 nan 8.190 nan 0.000 0.457 227 I N 3.723 124.301 120.570 0.014 0.000 2.433 227 I HA 0.605 4.776 4.170 0.001 0.000 0.292 227 I C -0.419 175.713 176.117 0.026 0.000 1.001 227 I CA -0.214 61.074 61.300 -0.022 0.000 1.119 227 I CB 1.677 39.668 38.000 -0.015 0.000 1.289 227 I HN 0.612 nan 8.210 nan 0.000 0.438 228 D N 2.913 123.307 120.400 -0.010 0.000 2.579 228 D HA 0.659 5.299 4.640 0.001 0.000 0.257 228 D C -1.359 174.956 176.300 0.025 0.000 1.176 228 D CA -0.121 53.919 54.000 0.065 0.000 0.914 228 D CB 2.667 43.615 40.800 0.246 0.000 1.431 228 D HN 0.496 nan 8.370 nan 0.000 0.454 229 S N -0.174 115.575 115.700 0.083 0.000 2.588 229 S HA 0.350 4.820 4.470 0.001 0.000 0.269 229 S C -0.034 174.671 174.600 0.175 0.000 1.157 229 S CA -0.535 57.731 58.200 0.110 0.000 0.824 229 S CB 1.278 64.479 63.200 0.002 0.000 1.126 229 S HN 0.103 nan 8.310 nan 0.000 0.464 230 V N 2.197 122.242 119.914 0.217 0.000 3.406 230 V HA 0.133 4.253 4.120 0.001 0.000 0.263 230 V C 1.310 177.528 176.094 0.207 0.000 1.172 230 V CA 0.809 63.289 62.300 0.301 0.000 1.140 230 V CB -0.280 31.634 31.823 0.152 0.000 0.784 230 V HN 0.773 nan 8.190 nan 0.000 0.467 234 F N 1.602 121.639 119.950 0.145 0.000 2.688 234 F HA 0.366 4.894 4.527 0.001 0.000 0.310 234 F C 0.428 176.280 175.800 0.086 0.000 1.098 234 F CA 0.301 58.398 58.000 0.160 0.000 1.228 234 F CB 1.600 40.586 39.000 -0.023 0.000 1.042 234 F HN 0.018 nan 8.300 nan 0.000 0.557 235 S N 1.275 117.096 115.700 0.202 0.000 3.628 235 S HA -0.181 4.290 4.470 0.001 0.000 0.373 235 S C 0.252 174.866 174.600 0.023 0.000 0.968 235 S CA 0.516 58.789 58.200 0.121 0.000 1.215 235 S CB -1.141 62.139 63.200 0.132 0.000 0.912 235 S HN 0.637 nan 8.310 nan 0.000 0.495 236 A N 0.772 123.584 122.820 -0.013 0.000 2.959 236 A HA 0.516 4.837 4.320 0.001 0.000 0.280 236 A C 1.385 178.913 177.584 -0.095 0.000 0.953 236 A CA 0.267 52.195 52.037 -0.181 0.000 1.047 236 A CB -0.553 18.230 19.000 -0.363 0.000 1.147 236 A HN 0.781 nan 8.150 nan 0.000 0.489 237 C N -1.013 118.274 119.300 -0.023 0.000 2.403 237 C HA -0.120 4.341 4.460 0.001 0.000 0.277 237 C C 2.789 177.782 174.990 0.005 0.000 1.248 237 C CA 1.912 60.937 59.018 0.012 0.000 1.762 237 C CB -1.094 26.673 27.740 0.045 0.000 2.014 237 C HN 0.789 nan 8.230 nan 0.000 0.486 238 G N -0.370 108.421 108.800 -0.014 0.000 2.679 238 G HA2 0.167 4.127 3.960 0.001 0.000 0.212 238 G HA3 0.167 4.127 3.960 0.001 0.000 0.212 238 G C 1.680 176.585 174.900 0.009 0.000 1.137 238 G CA 0.815 45.918 45.100 0.006 0.000 0.787 238 G HN 0.619 nan 8.290 nan 0.000 0.534 239 A N 0.829 123.632 122.820 -0.027 0.000 1.930 239 A HA 0.110 4.431 4.320 0.001 0.000 0.217 239 A C 1.694 179.310 177.584 0.053 0.000 1.175 239 A CA 0.923 52.976 52.037 0.027 0.000 0.627 239 A CB -0.094 18.892 19.000 -0.023 0.000 0.815 239 A HN 0.259 nan 8.150 nan 0.000 0.443 240 R N -1.980 118.541 120.500 0.035 0.000 3.336 240 R HA -0.125 4.216 4.340 0.001 0.000 0.260 240 R C -1.039 175.284 176.300 0.037 0.000 1.032 240 R CA 0.817 56.936 56.100 0.032 0.000 0.693 240 R CB -3.123 27.195 30.300 0.031 0.000 1.134 240 R HN 0.369 nan 8.270 nan 0.000 0.433 241 V N -0.571 119.379 119.914 0.059 0.000 2.443 241 V HA 0.860 4.980 4.120 0.001 0.000 0.293 241 V C 0.970 177.141 176.094 0.129 0.000 1.021 241 V CA 0.066 62.425 62.300 0.099 0.000 0.848 241 V CB 2.125 34.032 31.823 0.140 0.000 0.998 241 V HN 0.560 nan 8.190 nan 0.000 0.424 242 G N 2.536 111.373 108.800 0.062 0.000 3.021 242 G HA2 0.822 4.782 3.960 0.001 0.000 0.290 242 G HA3 0.822 4.782 3.960 0.001 0.000 0.290 242 G C -0.866 173.895 174.900 -0.232 0.000 1.291 242 G CA -0.055 45.036 45.100 -0.014 0.000 0.834 242 G HN 1.255 nan 8.290 nan 0.000 0.564 243 C N -1.731 117.354 119.300 -0.359 0.000 3.312 243 C HA 0.810 5.270 4.460 0.001 0.000 0.332 243 C C -1.101 173.699 174.990 -0.317 0.000 1.340 243 C CA -1.066 57.674 59.018 -0.463 0.000 1.265 243 C CB 0.764 27.924 27.740 -0.966 0.000 1.563 243 C HN 1.060 nan 8.230 nan 0.000 0.471 244 L N 2.014 123.084 121.223 -0.254 0.000 2.325 244 L HA 0.855 5.196 4.340 0.001 0.000 0.281 244 L C -1.121 175.646 176.870 -0.171 0.000 1.004 244 L CA -0.789 53.949 54.840 -0.170 0.000 0.823 244 L CB 0.981 42.976 42.059 -0.107 0.000 1.236 244 L HN 0.797 nan 8.230 nan 0.000 0.415 245 I N 4.370 124.840 120.570 -0.166 0.000 2.465 245 I HA 0.581 4.751 4.170 0.001 0.000 0.291 245 I C -0.367 175.686 176.117 -0.107 0.000 1.014 245 I CA -0.400 60.794 61.300 -0.175 0.000 1.093 245 I CB 2.194 40.009 38.000 -0.308 0.000 1.267 245 I HN 0.580 nan 8.210 nan 0.000 0.431 246 T N 3.934 118.447 114.554 -0.069 0.000 2.886 246 T HA 0.345 4.695 4.350 0.001 0.000 0.330 246 T C 0.077 174.776 174.700 -0.003 0.000 1.488 246 T CA -0.575 61.513 62.100 -0.020 0.000 1.054 246 T CB 1.674 70.548 68.868 0.011 0.000 1.348 246 T HN 0.683 nan 8.240 nan 0.000 0.489 247 R N 1.231 121.742 120.500 0.019 0.000 2.300 247 R HA 0.189 4.530 4.340 0.001 0.000 0.199 247 R C 0.509 176.836 176.300 0.045 0.000 0.920 247 R CA -0.239 55.876 56.100 0.025 0.000 1.046 247 R CB 0.100 30.413 30.300 0.022 0.000 0.984 247 R HN 0.349 nan 8.270 nan 0.000 0.493 248 N N 1.969 120.710 118.700 0.070 0.000 2.402 248 N HA -0.033 4.707 4.740 0.001 0.000 0.259 248 N C 0.843 176.391 175.510 0.064 0.000 1.167 248 N CA 0.427 53.535 53.050 0.096 0.000 0.949 248 N CB 1.106 39.704 38.487 0.186 0.000 1.212 248 N HN 0.296 nan 8.380 nan 0.000 0.493 249 E N 2.894 123.123 120.200 0.048 0.000 2.153 249 E HA -0.212 4.139 4.350 0.001 0.000 0.194 249 E C 1.445 178.049 176.600 0.006 0.000 0.988 249 E CA 1.550 57.966 56.400 0.026 0.000 0.811 249 E CB -0.530 29.182 29.700 0.021 0.000 0.746 249 E HN 0.864 nan 8.360 nan 0.000 0.466 250 E N -0.557 119.659 120.200 0.027 0.000 2.072 250 E HA -0.072 4.279 4.350 0.001 0.000 0.190 250 E C 2.243 178.867 176.600 0.041 0.000 0.982 250 E CA 0.919 57.318 56.400 -0.001 0.000 0.803 250 E CB -0.136 29.614 29.700 0.084 0.000 0.755 250 E HN 0.551 nan 8.360 nan 0.000 0.453 251 L N 1.464 122.745 121.223 0.098 0.000 1.994 251 L HA -0.169 4.172 4.340 0.001 0.000 0.208 251 L C 2.570 179.457 176.870 0.027 0.000 1.071 251 L CA 1.676 56.549 54.840 0.055 0.000 0.745 251 L CB -0.409 41.608 42.059 -0.071 0.000 0.892 251 L HN 0.333 nan 8.230 nan 0.000 0.431 252 I N -2.243 118.333 120.570 0.010 0.000 2.361 252 I HA -0.203 3.967 4.170 0.001 0.000 0.251 252 I C 2.586 178.701 176.117 -0.004 0.000 1.133 252 I CA 1.470 62.776 61.300 0.010 0.000 1.413 252 I CB -0.869 37.142 38.000 0.017 0.000 1.073 252 I HN 0.376 nan 8.210 nan 0.000 0.424 253 S N 0.489 116.157 115.700 -0.054 0.000 2.402 253 S HA -0.192 4.279 4.470 0.001 0.000 0.229 253 S C 2.020 176.533 174.600 -0.145 0.000 1.021 253 S CA 0.963 59.094 58.200 -0.115 0.000 0.974 253 S CB -0.904 62.183 63.200 -0.188 0.000 0.800 253 S HN 0.573 nan 8.310 nan 0.000 0.484 254 H N 2.012 121.057 119.070 -0.041 0.000 2.395 254 H HA 0.383 4.940 4.556 0.001 0.000 0.299 254 H C 1.704 176.970 175.328 -0.103 0.000 1.070 254 H CA 0.826 56.833 56.048 -0.068 0.000 1.356 254 H CB -0.837 28.881 29.762 -0.072 0.000 1.401 254 H HN 0.606 nan 8.280 nan 0.000 0.524 258 L N 1.280 122.318 121.223 -0.309 0.000 2.109 258 L HA 0.047 4.388 4.340 0.001 0.000 0.207 258 L C 2.487 179.088 176.870 -0.448 0.000 1.086 258 L CA 1.558 56.073 54.840 -0.542 0.000 0.760 258 L CB -0.480 40.933 42.059 -1.075 0.000 0.910 258 L HN 0.223 nan 8.230 nan 0.000 0.437 259 A N -0.161 122.510 122.820 -0.248 0.000 1.972 259 A HA -0.220 4.100 4.320 0.001 0.000 0.219 259 A C 2.233 179.822 177.584 0.008 0.000 1.169 259 A CA 1.380 53.486 52.037 0.116 0.000 0.635 259 A CB -0.366 18.751 19.000 0.195 0.000 0.810 259 A HN 0.467 nan 8.150 nan 0.000 0.446 260 Q N -0.821 118.935 119.800 -0.073 0.000 2.123 260 Q HA -0.052 4.289 4.340 0.001 0.000 0.199 260 Q C 2.187 178.126 176.000 -0.101 0.000 0.966 260 Q CA 1.016 56.759 55.803 -0.100 0.000 0.845 260 Q CB -0.370 28.303 28.738 -0.108 0.000 0.907 260 Q HN 0.676 nan 8.270 nan 0.000 0.439 261 G N 1.108 109.853 108.800 -0.091 0.000 2.422 261 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 261 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 261 G C 1.395 176.265 174.900 -0.049 0.000 1.146 261 G CA 0.480 45.535 45.100 -0.074 0.000 0.769 261 G HN 0.176 nan 8.290 nan 0.000 0.547 262 R N -0.128 120.367 120.500 -0.009 0.000 2.235 262 R HA 0.138 4.479 4.340 0.001 0.000 0.213 262 R C 1.448 177.742 176.300 -0.009 0.000 1.059 262 R CA 1.013 57.139 56.100 0.043 0.000 0.997 262 R CB -0.139 30.255 30.300 0.157 0.000 0.884 262 R HN 0.406 nan 8.270 nan 0.000 0.462 263 L N -2.943 118.226 121.223 -0.090 0.000 3.428 263 L HA -0.335 4.005 4.340 0.001 0.000 0.267 263 L C 0.112 176.934 176.870 -0.080 0.000 4.235 263 L CA 1.479 56.181 54.840 -0.228 0.000 1.105 263 L CB -1.574 40.142 42.059 -0.571 0.000 3.396 263 L HN 0.357 nan 8.230 nan 0.000 0.847 264 A N -1.508 121.349 122.820 0.062 0.000 2.567 264 A HA 0.755 5.076 4.320 0.001 0.000 0.291 264 A C -2.908 174.758 177.584 0.136 0.000 1.048 264 A CA -0.610 51.505 52.037 0.130 0.000 0.661 264 A CB 1.101 20.232 19.000 0.220 0.000 1.288 264 A HN -0.001 nan 8.150 nan 0.000 0.424 265 P HA 0.537 nan 4.420 nan 0.000 0.279 265 P C -2.766 174.583 177.300 0.082 0.000 1.282 265 P CA -1.481 61.667 63.100 0.080 0.000 0.788 265 P CB -0.567 31.173 31.700 0.066 0.000 1.139 266 P HA 0.069 nan 4.420 nan 0.000 0.271 266 P C 0.631 177.937 177.300 0.010 0.000 1.226 266 P CA -0.140 62.981 63.100 0.035 0.000 0.765 266 P CB 0.253 31.975 31.700 0.036 0.000 0.835 267 L N 5.259 126.460 121.223 -0.036 0.000 1.976 267 L HA -0.157 4.184 4.340 0.001 0.000 0.209 267 L C 1.919 178.723 176.870 -0.109 0.000 1.071 267 L CA 1.862 56.645 54.840 -0.095 0.000 0.746 267 L CB -1.278 40.645 42.059 -0.227 0.000 0.890 267 L HN 0.319 nan 8.230 nan 0.000 0.432 268 L N -0.756 120.396 121.223 -0.119 0.000 2.079 268 L HA -0.209 4.132 4.340 0.001 0.000 0.210 268 L C 2.477 179.242 176.870 -0.176 0.000 1.081 268 L CA 1.138 55.888 54.840 -0.149 0.000 0.752 268 L CB -0.664 41.322 42.059 -0.121 0.000 0.896 268 L HN 0.277 nan 8.230 nan 0.000 0.433 269 E N -0.085 120.077 120.200 -0.063 0.000 2.150 269 E HA -0.202 4.148 4.350 0.001 0.000 0.193 269 E C 2.246 178.850 176.600 0.007 0.000 0.985 269 E CA 0.912 57.333 56.400 0.036 0.000 0.814 269 E CB -0.119 29.660 29.700 0.132 0.000 0.752 269 E HN 0.462 nan 8.360 nan 0.000 0.466 270 Q N -0.176 119.614 119.800 -0.016 0.000 2.079 270 Q HA -0.069 4.272 4.340 0.001 0.000 0.200 270 Q C 2.213 178.166 176.000 -0.079 0.000 0.974 270 Q CA 0.987 56.786 55.803 -0.007 0.000 0.840 270 Q CB -0.094 28.661 28.738 0.029 0.000 0.898 270 Q HN 0.336 nan 8.270 nan 0.000 0.430 271 I N 0.196 120.688 120.570 -0.129 0.000 2.226 271 I HA -0.221 3.950 4.170 0.001 0.000 0.245 271 I C 2.277 178.238 176.117 -0.260 0.000 1.100 271 I CA 1.265 62.465 61.300 -0.167 0.000 1.374 271 I CB -0.537 37.360 38.000 -0.172 0.000 1.057 271 I HN 0.288 nan 8.210 nan 0.000 0.413 272 G N -0.291 108.242 108.800 -0.444 0.000 2.421 272 G HA2 -0.176 3.785 3.960 0.001 0.000 0.217 272 G HA3 -0.176 3.785 3.960 0.001 0.000 0.217 272 G C 1.723 176.476 174.900 -0.245 0.000 1.143 272 G CA 0.706 45.378 45.100 -0.713 0.000 0.784 272 G HN 0.352 nan 8.290 nan 0.000 0.541 273 S N 0.147 115.786 115.700 -0.103 0.000 2.419 273 S HA -0.084 4.386 4.470 0.001 0.000 0.233 273 S C 2.425 176.850 174.600 -0.293 0.000 1.016 273 S CA 0.887 58.998 58.200 -0.148 0.000 0.974 273 S CB -0.065 63.070 63.200 -0.109 0.000 0.786 273 S HN 0.193 nan 8.310 nan 0.000 0.492 274 V N 1.647 121.424 119.914 -0.228 0.000 2.407 274 V HA -0.139 3.982 4.120 0.001 0.000 0.248 274 V C 2.558 178.528 176.094 -0.208 0.000 1.055 274 V CA 1.903 64.077 62.300 -0.210 0.000 1.049 274 V CB -1.358 30.382 31.823 -0.138 0.000 0.662 274 V HN 0.589 nan 8.190 nan 0.000 0.455 275 G N -0.410 108.264 108.800 -0.211 0.000 2.394 275 G HA2 -0.140 3.821 3.960 0.001 0.000 0.215 275 G HA3 -0.140 3.821 3.960 0.001 0.000 0.215 275 G C 1.568 176.297 174.900 -0.285 0.000 1.165 275 G CA 0.625 45.607 45.100 -0.197 0.000 0.784 275 G HN 0.455 nan 8.290 nan 0.000 0.535 276 L N -0.039 120.922 121.223 -0.437 0.000 2.017 276 L HA 0.010 4.350 4.340 0.001 0.000 0.208 276 L C 2.815 179.210 176.870 -0.792 0.000 1.073 276 L CA 0.640 54.970 54.840 -0.851 0.000 0.745 276 L CB -0.421 40.849 42.059 -1.315 0.000 0.894 276 L HN 0.154 nan 8.230 nan 0.000 0.432 277 L N -0.400 120.492 121.223 -0.551 0.000 2.265 277 L HA -0.173 4.168 4.340 0.001 0.000 0.215 277 L C 1.540 178.461 176.870 0.084 0.000 1.117 277 L CA 1.207 55.949 54.840 -0.163 0.000 0.782 277 L CB -0.532 41.346 42.059 -0.301 0.000 0.914 277 L HN 0.390 nan 8.230 nan 0.000 0.441 278 N N -0.554 118.136 118.700 -0.018 0.000 2.336 278 N HA 0.138 4.878 4.740 0.001 0.000 0.189 278 N C 0.131 175.697 175.510 0.093 0.000 1.113 278 N CA -0.342 52.738 53.050 0.051 0.000 0.858 278 N CB 0.311 38.792 38.487 -0.009 0.000 0.970 278 N HN 0.212 nan 8.380 nan 0.000 0.471 279 L N 1.972 123.252 121.223 0.095 0.000 2.506 279 L HA -0.039 4.302 4.340 0.001 0.000 0.281 279 L C 0.660 177.715 176.870 0.309 0.000 1.228 279 L CA -0.187 54.701 54.840 0.080 0.000 0.850 279 L CB 0.159 42.095 42.059 -0.206 0.000 1.110 279 L HN 0.267 nan 8.230 nan 0.000 0.496 280 D N 0.729 121.269 120.400 0.233 0.000 2.384 280 D HA -0.021 4.620 4.640 0.001 0.000 0.244 280 D C 0.441 176.997 176.300 0.427 0.000 1.251 280 D CA -0.500 53.663 54.000 0.272 0.000 0.961 280 D CB 0.495 41.395 40.800 0.166 0.000 1.116 280 D HN 0.388 nan 8.370 nan 0.000 0.484 281 D N -0.557 120.044 120.400 0.334 0.000 2.123 281 D HA -0.191 4.449 4.640 0.001 0.000 0.196 281 D C 2.103 178.604 176.300 0.334 0.000 0.992 281 D CA 2.308 56.517 54.000 0.347 0.000 0.833 281 D CB -0.617 40.294 40.800 0.185 0.000 0.954 281 D HN 0.545 nan 8.370 nan 0.000 0.455 282 S N 0.298 116.143 115.700 0.242 0.000 2.387 282 S HA -0.253 4.218 4.470 0.001 0.000 0.230 282 S C 2.021 176.749 174.600 0.212 0.000 1.035 282 S CA 0.862 59.178 58.200 0.193 0.000 1.014 282 S CB -0.978 62.305 63.200 0.138 0.000 0.836 282 S HN 0.324 nan 8.310 nan 0.000 0.466 283 F N 2.164 122.161 119.950 0.080 0.000 2.102 283 F HA 0.010 4.538 4.527 0.001 0.000 0.298 283 F C 1.744 177.531 175.800 -0.020 0.000 1.105 283 F CA 1.150 59.129 58.000 -0.035 0.000 1.239 283 F CB -0.594 38.284 39.000 -0.203 0.000 0.991 283 F HN 0.167 nan 8.300 nan 0.000 0.474 284 F N 0.919 120.901 119.950 0.053 0.000 2.234 284 F HA -0.143 4.385 4.527 0.001 0.000 0.299 284 F C 2.217 177.984 175.800 -0.055 0.000 1.087 284 F CA 1.341 59.300 58.000 -0.068 0.000 1.340 284 F CB -0.904 38.149 39.000 0.089 0.000 1.031 284 F HN -0.026 nan 8.300 nan 0.000 0.500 285 D N -0.142 120.371 120.400 0.188 0.000 2.117 285 D HA -0.213 4.428 4.640 0.001 0.000 0.197 285 D C 2.030 178.376 176.300 0.077 0.000 0.987 285 D CA 1.149 55.228 54.000 0.130 0.000 0.829 285 D CB -0.807 40.075 40.800 0.138 0.000 0.961 285 D HN 0.250 nan 8.370 nan 0.000 0.460 286 F N 1.350 121.241 119.950 -0.097 0.000 2.102 286 F HA -0.208 4.320 4.527 0.001 0.000 0.298 286 F C 2.140 177.825 175.800 -0.192 0.000 1.105 286 F CA 1.073 58.988 58.000 -0.141 0.000 1.239 286 F CB -0.219 38.684 39.000 -0.162 0.000 0.991 286 F HN -0.208 nan 8.300 nan 0.000 0.474 287 V N 1.234 121.008 119.914 -0.233 0.000 2.261 287 V HA -0.304 3.817 4.120 0.001 0.000 0.246 287 V C 2.589 178.657 176.094 -0.044 0.000 1.047 287 V CA 2.333 64.483 62.300 -0.249 0.000 1.015 287 V CB -0.876 30.780 31.823 -0.277 0.000 0.642 287 V HN 0.353 nan 8.190 nan 0.000 0.446 288 R N 0.241 120.767 120.500 0.044 0.000 2.083 288 R HA -0.261 4.080 4.340 0.001 0.000 0.237 288 R C 2.314 178.725 176.300 0.185 0.000 1.137 288 R CA 2.296 58.501 56.100 0.174 0.000 0.951 288 R CB -0.292 30.085 30.300 0.128 0.000 0.851 288 R HN 0.517 nan 8.270 nan 0.000 0.434 289 E N -0.321 119.883 120.200 0.006 0.000 2.152 289 E HA -0.089 4.261 4.350 0.001 0.000 0.192 289 E C 1.610 178.094 176.600 -0.194 0.000 0.983 289 E CA 1.835 58.196 56.400 -0.065 0.000 0.818 289 E CB -0.140 29.509 29.700 -0.085 0.000 0.758 289 E HN 0.333 nan 8.360 nan 0.000 0.467 290 T N -0.254 114.073 114.554 -0.378 0.000 2.674 290 T HA -0.159 4.192 4.350 0.001 0.000 0.265 290 T C 1.255 175.738 174.700 -0.362 0.000 1.039 290 T CA 1.655 63.441 62.100 -0.523 0.000 1.150 290 T CB -0.533 67.824 68.868 -0.851 0.000 0.864 290 T HN 0.253 nan 8.240 nan 0.000 0.427 291 Y N 1.189 121.425 120.300 -0.107 0.000 2.352 291 Y HA 0.021 4.571 4.550 0.001 0.000 0.292 291 Y C 2.610 178.418 175.900 -0.152 0.000 1.136 291 Y CA 0.595 58.692 58.100 -0.005 0.000 1.227 291 Y CB -0.345 38.257 38.460 0.238 0.000 0.991 291 Y HN 0.063 nan 8.280 nan 0.000 0.545 292 R N 0.886 121.312 120.500 -0.123 0.000 2.073 292 R HA -0.185 4.156 4.340 0.001 0.000 0.234 292 R C 1.826 177.902 176.300 -0.373 0.000 1.134 292 R CA 1.990 57.726 56.100 -0.606 0.000 0.952 292 R CB -0.192 29.913 30.300 -0.325 0.000 0.850 292 R HN 0.395 nan 8.270 nan 0.000 0.433 293 E N -0.212 119.853 120.200 -0.226 0.000 2.110 293 E HA -0.188 4.163 4.350 0.001 0.000 0.193 293 E C 2.262 178.767 176.600 -0.158 0.000 0.988 293 E CA 1.122 57.416 56.400 -0.176 0.000 0.804 293 E CB 0.008 29.614 29.700 -0.156 0.000 0.745 293 E HN 0.366 nan 8.360 nan 0.000 0.458 294 R N 0.377 120.785 120.500 -0.154 0.000 2.062 294 R HA -0.086 4.255 4.340 0.001 0.000 0.231 294 R C 2.508 178.750 176.300 -0.096 0.000 1.136 294 R CA 1.128 57.161 56.100 -0.111 0.000 0.948 294 R CB -0.454 29.795 30.300 -0.084 0.000 0.845 294 R HN 0.035 nan 8.270 nan 0.000 0.430 295 V N 1.370 121.215 119.914 -0.116 0.000 2.287 295 V HA -0.276 3.845 4.120 0.001 0.000 0.248 295 V C 2.276 178.299 176.094 -0.119 0.000 1.053 295 V CA 2.011 64.244 62.300 -0.112 0.000 1.027 295 V CB -0.497 31.215 31.823 -0.185 0.000 0.646 295 V HN 0.395 nan 8.190 nan 0.000 0.447 296 E N -0.250 119.852 120.200 -0.164 0.000 2.077 296 E HA -0.220 4.131 4.350 0.001 0.000 0.193 296 E C 2.247 178.799 176.600 -0.081 0.000 0.989 296 E CA 1.807 58.137 56.400 -0.116 0.000 0.800 296 E CB -0.119 29.499 29.700 -0.137 0.000 0.746 296 E HN 0.648 nan 8.360 nan 0.000 0.452 297 T N 0.210 114.712 114.554 -0.088 0.000 2.684 297 T HA -0.151 4.199 4.350 0.001 0.000 0.267 297 T C 1.905 176.563 174.700 -0.071 0.000 1.036 297 T CA 1.414 63.471 62.100 -0.072 0.000 1.148 297 T CB -0.219 68.603 68.868 -0.076 0.000 0.863 297 T HN 0.025 nan 8.240 nan 0.000 0.436 298 V N 1.586 121.452 119.914 -0.080 0.000 2.295 298 V HA -0.120 4.000 4.120 0.001 0.000 0.246 298 V C 2.528 178.537 176.094 -0.142 0.000 1.049 298 V CA 1.463 63.705 62.300 -0.096 0.000 1.024 298 V CB -0.776 30.998 31.823 -0.081 0.000 0.648 298 V HN 0.436 nan 8.190 nan 0.000 0.447 299 L N -0.130 121.022 121.223 -0.118 0.000 2.043 299 L HA -0.245 4.096 4.340 0.001 0.000 0.212 299 L C 2.806 179.603 176.870 -0.120 0.000 1.075 299 L CA 1.882 56.641 54.840 -0.135 0.000 0.752 299 L CB -0.833 41.258 42.059 0.053 0.000 0.891 299 L HN 0.238 nan 8.230 nan 0.000 0.432 300 K N -0.633 119.734 120.400 -0.055 0.000 2.057 300 K HA -0.098 4.223 4.320 0.001 0.000 0.206 300 K C 2.083 178.665 176.600 -0.031 0.000 1.050 300 K CA 0.846 57.117 56.287 -0.026 0.000 0.935 300 K CB -0.344 32.144 32.500 -0.021 0.000 0.715 300 K HN 0.275 nan 8.250 nan 0.000 0.439 301 K N 0.608 120.988 120.400 -0.032 0.000 2.097 301 K HA 0.058 4.379 4.320 0.001 0.000 0.206 301 K C 2.217 178.857 176.600 0.067 0.000 1.049 301 K CA 1.226 57.542 56.287 0.049 0.000 0.933 301 K CB -0.460 32.048 32.500 0.014 0.000 0.717 301 K HN 0.251 nan 8.250 nan 0.000 0.442 302 L N 0.575 121.713 121.223 -0.142 0.000 2.056 302 L HA -0.165 4.175 4.340 0.001 0.000 0.207 302 L C 2.624 179.396 176.870 -0.162 0.000 1.078 302 L CA 1.295 55.980 54.840 -0.259 0.000 0.749 302 L CB -0.427 41.224 42.059 -0.679 0.000 0.901 302 L HN 0.287 nan 8.230 nan 0.000 0.433 303 E N 0.916 121.034 120.200 -0.138 0.000 2.072 303 E HA -0.262 4.089 4.350 0.001 0.000 0.191 303 E C 1.985 178.602 176.600 0.028 0.000 0.985 303 E CA 1.483 57.915 56.400 0.053 0.000 0.801 303 E CB 0.043 29.822 29.700 0.133 0.000 0.750 303 E HN 0.646 nan 8.360 nan 0.000 0.452 304 E N -0.797 119.394 120.200 -0.015 0.000 2.338 304 E HA -0.189 4.161 4.350 0.001 0.000 0.197 304 E C 0.915 177.380 176.600 -0.226 0.000 1.007 304 E CA 1.095 57.428 56.400 -0.111 0.000 0.849 304 E CB -0.290 29.317 29.700 -0.155 0.000 0.774 304 E HN 0.460 nan 8.360 nan 0.000 0.506 305 H N -0.285 118.768 119.070 -0.028 0.000 2.538 305 H HA 0.288 4.845 4.556 0.001 0.000 0.286 305 H C 1.001 176.320 175.328 -0.015 0.000 1.035 305 H CA 0.423 56.458 56.048 -0.023 0.000 1.169 305 H CB 0.935 30.677 29.762 -0.032 0.000 1.417 305 H HN 0.399 nan 8.280 nan 0.000 0.567 306 G N 0.652 109.484 108.800 0.053 0.000 2.184 306 G HA2 -0.308 3.652 3.960 0.001 0.000 0.264 306 G HA3 -0.308 3.652 3.960 0.001 0.000 0.264 306 G C 0.131 175.071 174.900 0.066 0.000 0.975 306 G CA 0.170 45.299 45.100 0.049 0.000 0.642 306 G HN 0.339 nan 8.290 nan 0.000 0.536 307 L N 0.636 121.904 121.223 0.076 0.000 2.410 307 L HA 0.666 5.006 4.340 0.001 0.000 0.273 307 L C 1.455 178.463 176.870 0.229 0.000 1.144 307 L CA 1.662 56.558 54.840 0.093 0.000 0.863 307 L CB 0.571 42.644 42.059 0.023 0.000 1.140 307 L HN 0.419 nan 8.230 nan 0.000 0.463 308 K N 3.297 123.810 120.400 0.187 0.000 2.102 308 K HA 0.139 4.460 4.320 0.001 0.000 0.206 308 K C 0.985 177.665 176.600 0.132 0.000 1.031 308 K CA 0.813 57.197 56.287 0.161 0.000 0.962 308 K CB -0.368 32.165 32.500 0.055 0.000 0.811 308 K HN 0.472 nan 8.250 nan 0.000 0.453 309 R N 1.302 121.865 120.500 0.106 0.000 2.429 309 R HA 0.491 4.832 4.340 0.001 0.000 0.302 309 R C -0.558 175.842 176.300 0.166 0.000 1.268 309 R CA 0.004 56.131 56.100 0.045 0.000 1.090 309 R CB -2.215 28.099 30.300 0.022 0.000 1.102 309 R HN 0.623 nan 8.270 nan 0.000 0.522 310 F N -2.300 117.662 119.950 0.020 0.000 2.645 310 F HA 0.728 5.255 4.527 0.001 0.000 0.310 310 F C -0.222 175.610 175.800 0.054 0.000 1.102 310 F CA -1.220 56.804 58.000 0.040 0.000 0.952 310 F CB 1.803 40.819 39.000 0.028 0.000 1.326 310 F HN 0.174 nan 8.300 nan 0.000 0.456 311 T N 1.145 115.832 114.554 0.222 0.000 2.867 311 T HA 0.418 4.769 4.350 0.001 0.000 0.282 311 T C -0.885 173.930 174.700 0.191 0.000 1.000 311 T CA -0.735 61.443 62.100 0.130 0.000 1.042 311 T CB 0.705 69.710 68.868 0.230 0.000 0.973 311 T HN 0.702 nan 8.240 nan 0.000 0.465 312 K N 5.975 126.436 120.400 0.101 0.000 2.263 312 K HA 0.350 4.671 4.320 0.001 0.000 0.282 312 K C -2.187 174.479 176.600 0.110 0.000 1.089 312 K CA -1.708 54.656 56.287 0.128 0.000 0.907 312 K CB 1.004 33.551 32.500 0.079 0.000 1.148 312 K HN 0.526 nan 8.250 nan 0.000 0.470 313 P HA 0.098 nan 4.420 nan 0.000 0.275 313 P C -0.216 177.190 177.300 0.176 0.000 1.228 313 P CA -0.296 62.873 63.100 0.115 0.000 0.786 313 P CB 1.516 33.286 31.700 0.117 0.000 0.927 314 S N 0.264 116.015 115.700 0.085 0.000 2.503 314 S HA 0.284 4.755 4.470 0.001 0.000 0.217 314 S C 0.962 175.517 174.600 -0.075 0.000 0.999 314 S CA 0.549 58.797 58.200 0.079 0.000 0.914 314 S CB 0.040 63.248 63.200 0.012 0.000 0.782 314 S HN 0.839 nan 8.310 nan 0.000 0.520 315 G N -0.480 108.210 108.800 -0.183 0.000 2.645 315 G HA2 0.667 4.628 3.960 0.001 0.000 0.292 315 G HA3 0.667 4.628 3.960 0.001 0.000 0.292 315 G C -0.666 173.991 174.900 -0.405 0.000 1.415 315 G CA -0.030 44.770 45.100 -0.499 0.000 0.785 315 G HN 0.737 nan 8.290 nan 0.000 0.483 316 A N -1.470 121.022 122.820 -0.546 0.000 6.506 316 A HA 0.226 4.547 4.320 0.001 0.000 0.234 316 A C 0.199 177.504 177.584 -0.464 0.000 2.257 316 A CA 1.354 52.962 52.037 -0.714 0.000 0.695 316 A CB -1.419 17.027 19.000 -0.923 0.000 0.929 316 A HN 2.349 nan 8.150 nan 0.000 0.364 317 F N -3.030 116.575 119.950 -0.575 0.000 2.850 317 F HA 0.702 5.230 4.527 0.001 0.000 0.329 317 F C -0.337 175.100 175.800 -0.605 0.000 1.182 317 F CA -0.922 56.785 58.000 -0.489 0.000 1.270 317 F CB -0.542 38.104 39.000 -0.590 0.000 0.979 317 F HN 0.444 nan 8.300 nan 0.000 0.506 318 Y N 1.002 121.248 120.300 -0.089 0.000 2.468 318 Y HA 0.728 5.278 4.550 0.001 0.000 0.342 318 Y C -0.168 175.697 175.900 -0.058 0.000 1.021 318 Y CA -1.793 56.261 58.100 -0.077 0.000 1.079 318 Y CB 1.998 40.323 38.460 -0.225 0.000 1.226 318 Y HN -0.022 nan 8.280 nan 0.000 0.460 319 I N 2.185 122.834 120.570 0.132 0.000 2.447 319 I HA 0.314 4.485 4.170 0.001 0.000 0.287 319 I C -0.788 175.365 176.117 0.061 0.000 1.023 319 I CA -0.526 60.828 61.300 0.091 0.000 1.083 319 I CB 2.018 40.062 38.000 0.073 0.000 1.245 319 I HN 0.578 nan 8.210 nan 0.000 0.434 320 T N 5.353 119.940 114.554 0.055 0.000 2.795 320 T HA 0.755 5.106 4.350 0.001 0.000 0.282 320 T C -0.229 174.556 174.700 0.143 0.000 0.980 320 T CA -0.475 61.647 62.100 0.037 0.000 1.012 320 T CB 1.496 70.343 68.868 -0.034 0.000 0.936 320 T HN 0.695 nan 8.240 nan 0.000 0.457 321 A N 1.974 124.867 122.820 0.121 0.000 2.515 321 A HA 0.820 5.141 4.320 0.001 0.000 0.298 321 A C -0.442 177.206 177.584 0.106 0.000 1.059 321 A CA -0.874 51.257 52.037 0.157 0.000 0.698 321 A CB 1.070 20.148 19.000 0.130 0.000 1.289 321 A HN 0.878 nan 8.150 nan 0.000 0.404 322 E N 1.441 121.703 120.200 0.104 0.000 2.156 322 E HA 0.625 4.976 4.350 0.001 0.000 0.279 322 E C -0.785 175.819 176.600 0.006 0.000 0.965 322 E CA -0.532 55.899 56.400 0.052 0.000 0.789 322 E CB 0.782 30.511 29.700 0.048 0.000 1.098 322 E HN 0.669 nan 8.360 nan 0.000 0.397 323 L N 2.808 123.998 121.223 -0.054 0.000 2.375 323 L HA 0.542 4.883 4.340 0.001 0.000 0.268 323 L C -1.719 175.072 176.870 -0.131 0.000 1.058 323 L CA -2.125 52.631 54.840 -0.139 0.000 0.803 323 L CB 2.211 44.101 42.059 -0.283 0.000 1.212 323 L HN 0.517 nan 8.230 nan 0.000 0.451 324 P HA 0.208 nan 4.420 nan 0.000 0.214 324 P C -0.925 176.302 177.300 -0.122 0.000 1.826 324 P CA 0.042 63.079 63.100 -0.106 0.000 0.977 324 P CB 0.295 31.945 31.700 -0.085 0.000 1.930 325 V N -0.732 119.102 119.914 -0.132 0.000 3.078 325 V HA 0.141 4.261 4.120 0.001 0.000 0.311 325 V C 1.611 177.681 176.094 -0.039 0.000 1.138 325 V CA -0.536 61.707 62.300 -0.095 0.000 1.007 325 V CB 2.083 33.747 31.823 -0.265 0.000 1.045 325 V HN 0.108 nan 8.190 nan 0.000 0.432 326 E N 1.272 121.482 120.200 0.016 0.000 2.028 326 E HA -0.132 4.218 4.350 0.001 0.000 0.191 326 E C 0.261 176.870 176.600 0.016 0.000 0.988 326 E CA 1.707 58.116 56.400 0.015 0.000 0.799 326 E CB 0.002 29.719 29.700 0.028 0.000 0.755 326 E HN 0.846 nan 8.360 nan 0.000 0.447 327 D N -2.346 118.077 120.400 0.038 0.000 2.549 327 D HA 0.563 5.204 4.640 0.001 0.000 0.251 327 D C 0.300 176.617 176.300 0.029 0.000 1.153 327 D CA 0.389 54.411 54.000 0.038 0.000 0.861 327 D CB 1.420 42.256 40.800 0.059 0.000 1.207 327 D HN 0.165 nan 8.370 nan 0.000 0.543 328 A N 3.889 126.721 122.820 0.021 0.000 1.898 328 A HA -0.155 4.166 4.320 0.001 0.000 0.216 328 A C 1.738 179.375 177.584 0.089 0.000 1.181 328 A CA 1.638 53.702 52.037 0.045 0.000 0.620 328 A CB -0.543 18.488 19.000 0.051 0.000 0.819 328 A HN 0.755 nan 8.150 nan 0.000 0.442 329 E N -0.565 119.675 120.200 0.066 0.000 2.204 329 E HA -0.114 4.237 4.350 0.001 0.000 0.194 329 E C 1.712 178.330 176.600 0.030 0.000 0.989 329 E CA 1.335 57.765 56.400 0.049 0.000 0.824 329 E CB -0.445 29.283 29.700 0.047 0.000 0.756 329 E HN 0.594 nan 8.360 nan 0.000 0.477 330 E N 1.498 121.734 120.200 0.059 0.000 2.072 330 E HA -0.134 4.217 4.350 0.001 0.000 0.190 330 E C 1.631 178.302 176.600 0.118 0.000 0.982 330 E CA 1.098 57.552 56.400 0.090 0.000 0.803 330 E CB -1.074 28.716 29.700 0.149 0.000 0.755 330 E HN 0.467 nan 8.360 nan 0.000 0.453 331 F N 1.455 121.304 119.950 -0.169 0.000 2.186 331 F HA 0.141 4.669 4.527 0.001 0.000 0.299 331 F C 2.596 178.322 175.800 -0.122 0.000 1.090 331 F CA 1.516 59.250 58.000 -0.444 0.000 1.307 331 F CB -0.437 38.074 39.000 -0.815 0.000 1.019 331 F HN 0.256 nan 8.300 nan 0.000 0.489 332 A N 0.813 123.518 122.820 -0.193 0.000 1.902 332 A HA -0.206 4.115 4.320 0.001 0.000 0.217 332 A C 2.425 179.895 177.584 -0.190 0.000 1.181 332 A CA 1.761 53.662 52.037 -0.226 0.000 0.623 332 A CB -0.898 18.068 19.000 -0.056 0.000 0.818 332 A HN 0.488 nan 8.150 nan 0.000 0.443 333 R N -1.887 118.520 120.500 -0.154 0.000 2.075 333 R HA -0.141 4.199 4.340 0.001 0.000 0.232 333 R C 1.153 177.354 176.300 -0.165 0.000 1.126 333 R CA 0.889 56.825 56.100 -0.272 0.000 0.963 333 R CB -0.283 29.743 30.300 -0.456 0.000 0.858 333 R HN 0.633 nan 8.270 nan 0.000 0.435 337 T N -2.892 111.594 114.554 -0.113 0.000 2.706 337 T HA -0.092 4.259 4.350 0.001 0.000 0.255 337 T C 1.083 175.664 174.700 -0.199 0.000 1.048 337 T CA 1.678 63.726 62.100 -0.087 0.000 1.153 337 T CB -0.166 68.683 68.868 -0.030 0.000 0.865 337 T HN 0.092 nan 8.240 nan 0.000 0.414 338 D N 0.426 120.575 120.400 -0.417 0.000 2.491 338 D HA 0.356 4.997 4.640 0.001 0.000 0.228 338 D C -1.057 174.847 176.300 -0.661 0.000 1.183 338 D CA -0.747 52.943 54.000 -0.515 0.000 0.827 338 D CB -0.453 40.026 40.800 -0.535 0.000 0.989 338 D HN 0.370 nan 8.370 nan 0.000 0.494 339 F N 0.968 120.503 119.950 -0.692 0.000 2.650 339 F HA 0.404 4.932 4.527 0.001 0.000 0.310 339 F C -1.582 174.045 175.800 -0.288 0.000 1.112 339 F CA -0.722 56.943 58.000 -0.558 0.000 0.986 339 F CB 0.996 39.489 39.000 -0.845 0.000 1.285 339 F HN -0.064 nan 8.300 nan 0.000 0.440 343 G N 1.161 109.888 108.800 -0.120 0.000 2.179 343 G HA2 -0.306 3.655 3.960 0.001 0.000 0.257 343 G HA3 -0.306 3.655 3.960 0.001 0.000 0.257 343 G C 0.042 174.873 174.900 -0.115 0.000 1.010 343 G CA 0.536 45.567 45.100 -0.115 0.000 0.736 343 G HN 0.380 nan 8.290 nan 0.000 0.513 344 E N -0.924 119.207 120.200 -0.114 0.000 2.312 344 E HA 0.741 5.092 4.350 0.001 0.000 0.267 344 E C -0.381 176.184 176.600 -0.058 0.000 0.894 344 E CA -0.444 55.910 56.400 -0.078 0.000 0.773 344 E CB 2.369 32.114 29.700 0.074 0.000 1.241 344 E HN 0.129 nan 8.360 nan 0.000 0.432 345 T N 0.294 114.831 114.554 -0.029 0.000 2.843 345 T HA 0.522 4.873 4.350 0.001 0.000 0.302 345 T C -1.040 173.712 174.700 0.085 0.000 1.232 345 T CA -0.305 61.827 62.100 0.054 0.000 1.009 345 T CB 1.878 70.739 68.868 -0.011 0.000 1.254 345 T HN 0.391 nan 8.240 nan 0.000 0.504 349 A N 2.209 125.101 122.820 0.121 0.000 2.252 349 A HA 0.926 5.246 4.320 0.001 0.000 0.309 349 A C -2.576 175.102 177.584 0.156 0.000 1.285 349 A CA -1.805 50.325 52.037 0.155 0.000 0.900 349 A CB 0.349 19.482 19.000 0.223 0.000 1.157 349 A HN 0.763 nan 8.150 nan 0.000 0.536 350 P HA 0.048 nan 4.420 nan 0.000 0.268 350 P C 0.643 178.081 177.300 0.229 0.000 1.205 350 P CA -0.194 62.994 63.100 0.147 0.000 0.771 350 P CB 0.649 32.416 31.700 0.113 0.000 0.858 351 L N 3.555 124.902 121.223 0.206 0.000 2.554 351 L HA 0.089 4.430 4.340 0.001 0.000 0.226 351 L C 2.227 179.346 176.870 0.416 0.000 1.137 351 L CA 1.060 56.070 54.840 0.284 0.000 0.863 351 L CB -0.777 41.366 42.059 0.140 0.000 0.985 351 L HN 0.268 nan 8.230 nan 0.000 0.451 352 R N -0.482 120.189 120.500 0.285 0.000 2.117 352 R HA -0.166 4.175 4.340 0.001 0.000 0.243 352 R C 1.904 178.313 176.300 0.181 0.000 1.143 352 R CA 1.435 57.677 56.100 0.237 0.000 0.968 352 R CB -0.539 29.834 30.300 0.122 0.000 0.863 352 R HN 0.495 nan 8.270 nan 0.000 0.444 353 G N -0.919 107.925 108.800 0.073 0.000 2.598 353 G HA2 -0.160 3.801 3.960 0.001 0.000 0.215 353 G HA3 -0.160 3.801 3.960 0.001 0.000 0.215 353 G C 0.733 175.371 174.900 -0.437 0.000 1.131 353 G CA 0.052 45.038 45.100 -0.189 0.000 0.785 353 G HN 0.288 nan 8.290 nan 0.000 0.539 354 F N -0.922 118.884 119.950 -0.240 0.000 2.765 354 F HA 0.404 4.932 4.527 0.001 0.000 0.302 354 F C 0.121 175.553 175.800 -0.613 0.000 1.111 354 F CA -0.638 57.050 58.000 -0.520 0.000 1.359 354 F CB 0.138 38.848 39.000 -0.482 0.000 1.097 354 F HN -0.048 nan 8.300 nan 0.000 0.577 355 Y N -0.637 119.624 120.300 -0.064 0.000 2.468 355 Y HA 0.404 4.955 4.550 0.001 0.000 0.342 355 Y C 0.726 176.668 175.900 0.070 0.000 1.021 355 Y CA -0.937 57.198 58.100 0.058 0.000 1.079 355 Y CB 1.537 40.056 38.460 0.098 0.000 1.226 355 Y HN -0.210 nan 8.280 nan 0.000 0.460 356 L N 0.288 121.741 121.223 0.382 0.000 2.286 356 L HA 0.081 4.421 4.340 0.001 0.000 0.203 356 L C 0.515 177.504 176.870 0.200 0.000 1.068 356 L CA 0.466 55.469 54.840 0.272 0.000 0.811 356 L CB 0.034 42.272 42.059 0.299 0.000 0.989 356 L HN 0.609 nan 8.230 nan 0.000 0.467 357 T N 3.347 118.033 114.554 0.219 0.000 2.831 357 T HA 0.070 4.421 4.350 0.001 0.000 0.291 357 T C -2.238 172.514 174.700 0.086 0.000 0.981 357 T CA -0.765 61.417 62.100 0.137 0.000 1.174 357 T CB 0.205 69.153 68.868 0.133 0.000 0.929 357 T HN 0.042 nan 8.240 nan 0.000 0.532 358 P HA 0.267 nan 4.420 nan 0.000 0.271 358 P C 1.008 178.307 177.300 -0.000 0.000 1.216 358 P CA 0.158 63.278 63.100 0.034 0.000 0.771 358 P CB 0.797 32.517 31.700 0.034 0.000 0.864 359 G N 1.963 110.752 108.800 -0.017 0.000 2.258 359 G HA2 -0.203 3.758 3.960 0.001 0.000 0.233 359 G HA3 -0.203 3.758 3.960 0.001 0.000 0.233 359 G C -0.019 174.815 174.900 -0.110 0.000 1.006 359 G CA -0.246 44.828 45.100 -0.043 0.000 0.620 359 G HN 0.482 nan 8.290 nan 0.000 0.511 360 L N 0.709 121.807 121.223 -0.209 0.000 2.371 360 L HA 0.508 4.848 4.340 0.001 0.000 0.272 360 L C 1.719 178.249 176.870 -0.565 0.000 1.124 360 L CA 0.659 55.199 54.840 -0.499 0.000 0.816 360 L CB 1.017 42.577 42.059 -0.832 0.000 1.129 360 L HN 1.149 nan 8.230 nan 0.000 0.448 361 G N 0.797 109.326 108.800 -0.451 0.000 2.147 361 G HA2 -0.358 3.603 3.960 0.001 0.000 0.244 361 G HA3 -0.358 3.603 3.960 0.001 0.000 0.244 361 G C 0.923 175.850 174.900 0.044 0.000 1.005 361 G CA 0.650 45.735 45.100 -0.026 0.000 0.713 361 G HN 0.790 nan 8.290 nan 0.000 0.515 362 K N -0.199 120.192 120.400 -0.015 0.000 2.097 362 K HA 0.141 4.461 4.320 0.001 0.000 0.205 362 K C 1.945 178.557 176.600 0.020 0.000 1.050 362 K CA 1.786 58.079 56.287 0.010 0.000 0.938 362 K CB -0.420 32.075 32.500 -0.008 0.000 0.718 362 K HN 0.572 nan 8.250 nan 0.000 0.442 363 K N 0.535 120.941 120.400 0.010 0.000 2.372 363 K HA 0.179 4.499 4.320 0.001 0.000 0.200 363 K C -0.403 176.205 176.600 0.012 0.000 1.022 363 K CA -0.132 56.152 56.287 -0.004 0.000 1.125 363 K CB 0.796 33.284 32.500 -0.019 0.000 0.855 363 K HN 0.486 nan 8.250 nan 0.000 0.524 364 E N 1.604 121.838 120.200 0.057 0.000 2.212 364 E HA 0.466 4.816 4.350 0.001 0.000 0.270 364 E C -0.419 176.231 176.600 0.084 0.000 0.956 364 E CA -0.759 55.691 56.400 0.084 0.000 0.825 364 E CB 1.912 31.702 29.700 0.150 0.000 1.167 364 E HN 0.120 nan 8.360 nan 0.000 0.400 365 I N -1.965 118.644 120.570 0.065 0.000 3.074 365 I HA 0.619 4.790 4.170 0.001 0.000 0.310 365 I C -0.997 175.126 176.117 0.009 0.000 1.153 365 I CA -1.186 60.149 61.300 0.057 0.000 0.993 365 I CB 2.376 40.423 38.000 0.078 0.000 1.237 365 I HN 0.321 nan 8.210 nan 0.000 0.443 366 R N 2.804 123.298 120.500 -0.011 0.000 2.562 366 R HA 0.724 5.065 4.340 0.001 0.000 0.298 366 R C -1.863 174.469 176.300 0.055 0.000 0.961 366 R CA -0.716 55.351 56.100 -0.054 0.000 0.881 366 R CB 1.858 32.013 30.300 -0.242 0.000 1.159 366 R HN 0.685 nan 8.270 nan 0.000 0.450 367 I N 3.002 123.623 120.570 0.086 0.000 2.389 367 I HA 0.357 4.527 4.170 0.001 0.000 0.288 367 I C -0.221 176.001 176.117 0.174 0.000 0.999 367 I CA -0.234 61.131 61.300 0.108 0.000 1.129 367 I CB 1.976 40.009 38.000 0.054 0.000 1.288 367 I HN 0.628 nan 8.210 nan 0.000 0.444 368 A N 5.102 128.039 122.820 0.194 0.000 2.260 368 A HA 0.440 4.761 4.320 0.001 0.000 0.308 368 A C -0.138 177.481 177.584 0.058 0.000 1.254 368 A CA -0.398 51.745 52.037 0.176 0.000 0.874 368 A CB 0.222 19.390 19.000 0.280 0.000 1.153 368 A HN 0.841 nan 8.150 nan 0.000 0.527 369 C N 3.690 122.999 119.300 0.014 0.000 2.861 369 C HA 0.331 4.792 4.460 0.001 0.000 0.542 369 C C 1.362 176.302 174.990 -0.083 0.000 1.074 369 C CA -0.111 58.905 59.018 -0.004 0.000 1.232 369 C CB -2.093 25.679 27.740 0.054 0.000 1.433 369 C HN 0.730 nan 8.230 nan 0.000 0.606 370 V N -0.422 119.428 119.914 -0.106 0.000 2.887 370 V HA 0.506 4.627 4.120 0.001 0.000 0.370 370 V C -0.237 175.811 176.094 -0.077 0.000 1.322 370 V CA 0.142 62.351 62.300 -0.151 0.000 1.267 370 V CB -0.864 30.849 31.823 -0.184 0.000 1.344 370 V HN 0.554 nan 8.190 nan 0.000 0.573 371 L N 0.085 121.267 121.223 -0.068 0.000 2.376 371 L HA 0.582 4.923 4.340 0.001 0.000 0.258 371 L C 0.212 177.032 176.870 -0.083 0.000 1.013 371 L CA -0.864 53.948 54.840 -0.047 0.000 0.822 371 L CB 2.477 44.533 42.059 -0.005 0.000 1.388 371 L HN 0.331 nan 8.230 nan 0.000 0.413 372 E N -0.406 119.750 120.200 -0.073 0.000 2.415 372 E HA -0.011 4.339 4.350 0.001 0.000 0.262 372 E C 0.760 177.309 176.600 -0.086 0.000 1.038 372 E CA 0.065 56.410 56.400 -0.090 0.000 0.921 372 E CB 0.578 30.240 29.700 -0.063 0.000 0.950 372 E HN 0.773 nan 8.360 nan 0.000 0.438 373 K N 1.104 121.444 120.400 -0.101 0.000 2.107 373 K HA -0.325 3.996 4.320 0.001 0.000 0.211 373 K C 1.257 177.812 176.600 -0.074 0.000 1.049 373 K CA 2.326 58.558 56.287 -0.091 0.000 0.927 373 K CB -0.395 32.046 32.500 -0.098 0.000 0.714 373 K HN 0.517 nan 8.250 nan 0.000 0.452 374 D N 1.133 121.495 120.400 -0.063 0.000 2.117 374 D HA -0.057 4.584 4.640 0.001 0.000 0.198 374 D C 2.107 178.368 176.300 -0.065 0.000 0.982 374 D CA 0.992 54.959 54.000 -0.054 0.000 0.828 374 D CB -0.179 40.597 40.800 -0.039 0.000 0.967 374 D HN 0.200 nan 8.370 nan 0.000 0.464 375 L N 0.136 121.322 121.223 -0.061 0.000 2.056 375 L HA -0.101 4.240 4.340 0.001 0.000 0.207 375 L C 2.466 179.253 176.870 -0.139 0.000 1.078 375 L CA 0.583 55.375 54.840 -0.079 0.000 0.749 375 L CB -0.324 41.725 42.059 -0.017 0.000 0.901 375 L HN 0.062 nan 8.230 nan 0.000 0.433 376 L N -0.852 120.311 121.223 -0.099 0.000 2.042 376 L HA -0.236 4.104 4.340 0.001 0.000 0.210 376 L C 2.753 179.554 176.870 -0.115 0.000 1.076 376 L CA 1.249 56.029 54.840 -0.101 0.000 0.749 376 L CB -0.472 41.541 42.059 -0.076 0.000 0.893 376 L HN 0.231 nan 8.230 nan 0.000 0.432 377 S N -0.516 115.125 115.700 -0.098 0.000 2.359 377 S HA -0.242 4.228 4.470 0.001 0.000 0.224 377 S C 2.019 176.557 174.600 -0.104 0.000 1.035 377 S CA 1.515 59.666 58.200 -0.082 0.000 1.018 377 S CB -0.282 62.884 63.200 -0.057 0.000 0.876 377 S HN 0.287 nan 8.310 nan 0.000 0.448 378 R N 2.104 122.521 120.500 -0.139 0.000 2.075 378 R HA 0.107 4.447 4.340 0.001 0.000 0.232 378 R C 2.172 178.308 176.300 -0.272 0.000 1.126 378 R CA 1.677 57.672 56.100 -0.175 0.000 0.963 378 R CB -1.112 29.077 30.300 -0.186 0.000 0.858 378 R HN 0.305 nan 8.270 nan 0.000 0.435 379 A N 0.325 122.908 122.820 -0.395 0.000 1.940 379 A HA -0.104 4.217 4.320 0.001 0.000 0.219 379 A C 2.281 179.770 177.584 -0.158 0.000 1.176 379 A CA 1.691 53.497 52.037 -0.384 0.000 0.631 379 A CB -0.577 18.251 19.000 -0.285 0.000 0.814 379 A HN 0.395 nan 8.150 nan 0.000 0.446 380 I N -0.576 119.909 120.570 -0.141 0.000 2.406 380 I HA -0.155 4.016 4.170 0.001 0.000 0.249 380 I C 1.717 177.726 176.117 -0.179 0.000 1.122 380 I CA 0.990 62.212 61.300 -0.130 0.000 1.431 380 I CB -0.366 37.560 38.000 -0.123 0.000 1.087 380 I HN 0.200 nan 8.210 nan 0.000 0.424 381 D N 0.730 121.032 120.400 -0.163 0.000 2.117 381 D HA -0.141 4.500 4.640 0.001 0.000 0.197 381 D C 2.371 178.624 176.300 -0.078 0.000 0.987 381 D CA 1.205 55.105 54.000 -0.167 0.000 0.829 381 D CB -0.209 40.558 40.800 -0.054 0.000 0.961 381 D HN 0.120 nan 8.370 nan 0.000 0.460 382 V N 0.986 120.894 119.914 -0.011 0.000 2.358 382 V HA -0.141 3.980 4.120 0.001 0.000 0.246 382 V C 1.467 177.653 176.094 0.153 0.000 1.047 382 V CA 0.489 62.864 62.300 0.125 0.000 1.035 382 V CB -0.378 31.535 31.823 0.149 0.000 0.658 382 V HN 0.117 nan 8.190 nan 0.000 0.452 386 G N 0.747 109.440 108.800 -0.178 0.000 2.408 386 G HA2 0.113 4.074 3.960 0.001 0.000 0.217 386 G HA3 0.113 4.074 3.960 0.001 0.000 0.217 386 G C 1.751 176.620 174.900 -0.051 0.000 1.150 386 G CA 1.480 46.110 45.100 -0.784 0.000 0.776 386 G HN 0.682 nan 8.290 nan 0.000 0.542 387 L N 1.306 122.585 121.223 0.094 0.000 2.083 387 L HA 0.249 4.590 4.340 0.001 0.000 0.209 387 L C 2.232 179.087 176.870 -0.025 0.000 1.083 387 L CA 1.897 56.740 54.840 0.004 0.000 0.752 387 L CB -0.918 41.057 42.059 -0.141 0.000 0.899 387 L HN 0.312 nan 8.230 nan 0.000 0.433 391 C N 0.000 119.227 119.300 -0.122 0.000 2.653 391 C HA 0.000 4.461 4.460 0.001 0.000 0.325 391 C CA 0.000 58.941 59.018 -0.129 0.000 1.963 391 C CB 0.000 27.709 27.740 -0.052 0.000 2.134 391 C HN 0.000 nan 8.230 nan 0.000 0.568